Browse List
MarineDB ID
Name
Origin
Smiles
MDB81
Phrygiasterol
A. ingens
C[C@H](CC[C@@H]1C[C@H]1CO)[C@H]2[C@H]([C@@H]([C@@H]3[C@@]2(CC[C@H]4[C@]3(C[C@@H]([C@@H]5[C@@]4(CC[C@@H](C5)O)C)O)O)C)O)O
MDB82
Phrigioside B
A. ingens
C[C@H](CC[C@@H](C(C)C)O[C@H]1[C@@H]([C@H]([C@@H](CO1)OS(=O)(=O)[O-])OC)O)[C@H]2C[C@@H]([C@@H]3[C@@]2(CC[C@H]4[C@]3(C[C@@H]([C@@H]5[C@@]4(CC[C@@H](C5)O)C)O)O)C)O.[Na+]
MDB83
sodium;[(3S,5S,6S,8S,10S,13S,14S,17S)-17-acetyl-6-[(2R,3R,4S,5R,6R)-4-[(2S,3R,4S,5R)-5-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-2,3,4,5,6,7,8,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] sulfate
A. ingens
[C@H]1(OS([O-])(=O)=O)CC[C@@](C([C@@]([H])(C[C@@H]2O[C@H]3[C@@H]([C@H]([C@H](O)[C@H](O3)C)O[C@@H]([C@@H]([C@H]([C@H](O[C@H]4[C@@H]([C@@H](O)[C@@H](O)[C@@H](C)O4)O[C@@H]5O[C@@H]([C@@H]([C@H](O)[C@H]5O)O)C)C6)O)O[C@@H]([C@H](O)[C@@H](O)[C@H](O)[C@H]7C)O7)O6)O)[C@]([H])(CC[C@@H]8C(C)=O)[C@]8(C)C9)=C9)(C)[C@]2([H])C1.[Na+]
MDB84
sodium;[(3S,5S,6S,8S,10S,13S,14S,17S)-17-acetyl-6-[(2R,3R,4S,5R,6R)-4-[(2S,3R,4S,5R)-5-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-2,3,4,5,6,7,8,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] sulfate
A. ingens
[C@H]1(OS([O-])(=O)=O)CC[C@@](C([C@@]([H])(C[C@@H]2O[C@H]3[C@@H]([C@H]([C@H](O)[C@H](O3)C)O[C@@H]([C@@H]([C@H]([C@H](O[C@H]4[C@@H]([C@@H](O)[C@@H](O)CO4)O[C@@H]5O[C@@H]([C@@H]([C@H](O)[C@H]5O)O)C)C6)O)O[C@@H]([C@H](O)[C@@H](O)[C@H](O)[C@H]7C)O7)O6)O)[C@]([H])(CC[C@@H]8C(C)=O)[C@]8(C)C9)=C9)(C)[C@]2([H])C1.[Na+]
MDB85
sodium;[(3S,5S,6S,8S,10S,13S,14S,17S)-6-[(2R,3R,4S,5R,6R)-4-[(2S,3R,4S,5R)-5-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-methyloxan-2-yl]oxy-17-[(2S)-2-hydroxy-6-methyl-4-oxoheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] sulfate
A. ingens
[C@H]1([C@H]([C@@H](OC[C@H]1O[C@H](OC[C@H](O)[C@@H]2O)[C@@H]2O[C@H]3[C@@H]([C@H]([C@@H](O)[C@@H](C)O3)O)O)O[C@H]([C@H]([C@@H](O[C@@H]4C)O[C@H]5C[C@@]([H])([C@]([H])(CC[C@@H]6[C@@](O)(CC(=O)CC(C)C)C)[C@]6(C)C7)C(=C7)[C@@](C)(CC[C@@H]8OS([O-])(=O)=O)[C@]5([H])C8)O)[C@@H]4O)O[C@@H]([C@H](O)[C@@H](O)[C@H](O)[C@H]9C)O9)O.[Na+]
MDB86
sodium;[(3S,5S,6S,8S,10S,13S,14S,17S)-6-[(2R,3R,4S,5R,6R)-4-[(2S,3R,4S,5R)-5-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-methyloxan-2-yl]oxy-17-[(2S,5R)-2-hydroxy-5,6-dimethyl-4-oxoheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] sulfate
A. ingens
[C@H]1([C@H]([C@@H](OC[C@H]1O[C@H](OC[C@H](O)[C@@H]2O)[C@@H]2O[C@H]3[C@@H]([C@H]([C@@H](O)[C@@H](C)O3)O)O)O[C@H]([C@H]([C@@H](O[C@@H]4C)O[C@H]5C[C@@]([H])([C@]([H])(CC[C@@H]6[C@@](O)(CC(=O)[C@H](C)C(C)C)C)[C@]6(C)C7)C(=C7)[C@@](C)(CC[C@@H]8OS([O-])(=O)=O)[C@]5([H])C8)O)[C@@H]4O)O[C@@H]([C@H](O)[C@@H](O)[C@H](O)[C@H]9C)O9)O.[Na+]
MDB87
sodium;[(3S,5S,6S,8S,10S,13S,14S,17S)-6-[(2R,3R,4S,5R,6R)-4-[(2S,3R,4S,5S,6R)-5-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-17-[(1R)-1-hydroxy-1-[(2R,3S)-3-[(2S)-3-methylbutan-2-yl]oxiran-2-yl]ethyl]-10,13-dimethyl-2,3,4,5,6,7,8,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] sulfate
A. ingens
[C@@H]1([C@@H]([C@H]([C@@H](O[C@@H]1C)O[C@H]([C@H]([C@H](O[C@H]2C[C@]([H])(C(=C3)[C@](C)([C@@]24[H])CC[C@H](OS(=O)([O-])=O)C4)[C@@]([H])([C@]5(C)C3)CC[C@@H]5[C@](C)([C@H]6[C@@H](O6)[C@H](C(C)C)C)O)O[C@@H]7CO)O)[C@@H]7O)O[C@@H]([C@H](O)[C@@H](O)[C@H](O)[C@H]8C)O8)O)O[C@H]9[C@@H]([C@@H](O)[C@@H](O)[C@@H](C)O9)O[C@H]%10[C@@H]([C@H]([C@@H](O)[C@@H](C)O%10)O)O.[Na+]
MDB88
sodium;[(3S,5S,6S,8S,10S,13S,14S,17S)-6-[(2R,3R,4S,5R,6R)-4-[(2S,3R,4S,5S,6R)-5-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-17-[(1R)-1-hydroxy-1-[(2R,3S)-3-[(2S)-3-methylbutan-2-yl]oxiran-2-yl]ethyl]-10,13-dimethyl-2,3,4,5,6,7,8,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] sulfate
A. ingens
[C@@H]1([C@@H]([C@H]([C@@H](O[C@@H]1C)O[C@H]([C@H]([C@H](O[C@H]2C[C@]([H])(C(=C3)[C@](C)([C@@]24[H])CC[C@H](OS(=O)([O-])=O)C4)[C@@]([H])([C@]5(C)C3)CC[C@@H]5[C@](C)([C@H]6[C@@H](O6)[C@H](C(C)C)C)O)O[C@@H]7CO)O)[C@@H]7O)O[C@@H]([C@H](O)[C@@H](O)[C@H](O)[C@H]8C)O8)O)O[C@H]9[C@@H]([C@@H](O)[C@@H](O)CO9)O[C@H]%10[C@@H]([C@H]([C@@H](O)[C@@H](C)O%10)O)O.[Na+]
MDB89
(2S,5R,6S,9S,10S,13S,16S)-6-(5,5-dimethyloxolan-2-yl)-5,10-dihydroxy-16-[(2S,3R,4S,5R)-4-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2,6,13,17,17-pentamethyl-7-oxapentacyclo[10.8.0.02,9.05,9.013,18]icos-11-en-8-one
A. ingens
[C@@H]1([C@@H]([C@H](O[C@@H](O[C@H]2[C@@H](OC[C@H]([C@@H]2O)O[C@H](O[C@H](CO)[C@@H](O)[C@@H]3O)[C@@H]3O)O[C@H]4CC[C@]5(C(CCC([C@](C)(CC6)[C@@]7([C@@]6(O)[C@](C)(C8OC(C)(C)CC8)OC7=O)[C@H]9O)C5=C9)C4(C)C)C)[C@@H]1O)C)O)O
MDB90
(2S,5S,6S,9S,10S,13S,16S)-16-[(2S,3R,4S,5R)-5-[(2S,3R,4S,5R,6R)-4-[(3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3R,4R,5S,6R)-5-[(2S,3R,5R,6R)-4-[(3R,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-4-hydroxyoxan-2-yl]oxy-10-hydroxy-2,6,13,17,17-pentamethyl-6-(4-methylpentyl)-7-oxapentacyclo[10.8.0.02,9.05,9.013,18]icos-11-en-8-one
A. ingens
O[C@@H]1[C@H](O[C@@H](O[C@H]([C@H](O[C@@H](O[C@H]2[C@@H](OC[C@H]([C@@H]2O)O[C@H](O[C@H](CO)[C@@H](O)[C@@H]3OC(O[C@H](CO)[C@@H](O)[C@@H]4OC)[C@@H]4O)[C@@H]3O)O[C@H]5CC[C@]6(C(CCC([C@](C)(CC7)[C@@]8([C@H]7[C@](C)(CCCC(C)C)OC8=O)[C@H]9O)C6=C9)C5(C)C)C)[C@@H]%10O)C)[C@@H]%10O)[C@H](O)C1OC(O[C@H](CO)[C@H]%11O)[C@H](O)C%11OC)CO