Glycoside
...
GD115912

Name:
6-({[3,4-dihydroxy-6-(hydroxymethyl)-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl 5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)-9-[(3,4,5-trihydroxyoxan-2-yl)oxy]-icosahydro-1H-cyclopenta[a]chrysene-3a-carboxylate

Formula:
C53H86O21

Smiles:
C=C(C)C1CCC2(C(=O)OC3OC(COC4OC(CO)C(OC5OC(C)C(O)C(O)C5O)C(O)C4O)C(O)C(O)C3O)CCC3(C)C(CCC4C5(C)CCC(OC6OCC(O)C(O)C6O)C(C)(C)C5CCC43C)C12

Aglycone:
C=C(C)C1CCC2(C(=O)O)CCC3(C)C(CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C12

Sugarmoiety:
CC1OC(OC2C(CO)OC(OCC3OC(O)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O.OC1COC(O)C(O)C1O

Other Identifiers

Properties
HBA: 21 RingCount: 9
HBD: 12 FractionCSP3: 0.94
AlogP: -0.51 Num_rotatable_bonds: 11
MolWt: 1059.25 Num_heavy_atoms: 74
TPSA: 333.67 NumAromaticRings: 0

Unique Aglycone
AD00328
Formula: C30H48O3

Smiles:
C=C(C)C1CCC2(C(=O)O)CCC3(C)C(CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C12
HBA: 3 RingCount: 5
HBD: 2 FractionCSP3: 0.9
AlogP: 7.09 Num_rotatable_bonds: 2
MolWt: 456.71 Num_heavy_atoms: 33
TPSA: 57.53 NumAromaticRings: 0

Sugarmoiety
SD00364

CC1OC(OC2C(CO)OC(OCC3OC(O)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O.OC1COC(O)C(O)C1O