Glycoside
...
GD147037

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

Formula:
C47H76O16

Smiles:
C=C(C)C1CCC2(C(=O)O)CCC3(C)C(CCC4C5(C)CCC(OC6OC(CO)C(OC7OC(C)C(O)C(O)C7OC7OC(CO)C(O)C7O)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(O)C(O)C2O)C(OC2OC(CO)C(O)C2O)C(O)C1O

Other Identifiers

Properties
HBA: 16 RingCount: 8
HBD: 9 FractionCSP3: 0.94
AlogP: 2.23 Num_rotatable_bonds: 10
MolWt: 897.11 Num_heavy_atoms: 63
TPSA: 254.52 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
SD05062

CC1OC(OC2C(CO)OC(O)C(O)C2O)C(OC2OC(CO)C(O)C2O)C(O)C1O