Glycoside
...
GD156501

Name:
2-(acetyloxy)-8a-({[6-({[3,4-dihydroxy-6-(hydroxymethyl)-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}methyl)-4,5-dihydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}carbonyl)-3-hydroxy-4,6a,6b,11,11,14b-hexamethyl-docosahydropicene-4-carboxylic acid

Formula:
C56H90O26

Smiles:
CC(=O)OC1CC2(C)C(CCC3(C)C2CCC2C4CC(C)(C)CCC4(C(=O)OC4OC(COC5OC(CO)C(OC6OC(C)C(O)C(O)C6O)C(O)C5O)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)CCC23C)C(C)(C(=O)O)C1O

Aglycone:
CC(=O)OC1CC2(C)C(CCC3(C)C2CCC2C4CC(C)(C)CCC4(C(=O)O)CCC23C)C(C)(C(=O)O)C1O

Sugarmoiety:
CC1OC(OC2C(CO)OC(OCC3OC(O)C(OC4OC(CO)C(O)C(O)C4O)C(O)C3O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 26 RingCount: 9
HBD: 14 FractionCSP3: 0.95
AlogP: -2.32 Num_rotatable_bonds: 13
MolWt: 1179.31 Num_heavy_atoms: 82
TPSA: 417.5 NumAromaticRings: 0

Unique Aglycone
AD61960
Formula: C32H50O7

Smiles:
CC(=O)OC1CC2(C)C(CCC3(C)C2CCC2C4CC(C)(C)CCC4(C(=O)O)CCC23C)C(C)(C(=O)O)C1O
HBA: 7 RingCount: 5
HBD: 3 FractionCSP3: 0.91
AlogP: 5.92 Num_rotatable_bonds: 3
MolWt: 546.75 Num_heavy_atoms: 39
TPSA: 121.13 NumAromaticRings: 0

Sugarmoiety
SD06521

CC1OC(OC2C(CO)OC(OCC3OC(O)C(OC4OC(CO)C(O)C(O)C4O)C(O)C3O)C(O)C2O)C(O)C(O)C1O