Glycoside
...
GD129685

Name:
6-[(8a-carboxy-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl)oxy]-4-hydroxy-3-{[3,4,5-trihydroxy-3-(hydroxymethyl)oxolan-2-yl]oxy}-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxane-2-carboxylic acid

Formula:
C46H72O18

Smiles:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(=O)O)C(OC7OC(O)C(O)C7(O)CO)C(O)C6OC6OCC(O)C(O)C6O)C(C)(C)C5CCC43C)C2C1

Aglycone:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1

Sugarmoiety:
O=C(O)C1OC(O)C(OC2OCC(O)C(O)C2O)C(O)C1OC1OC(O)C(O)C1(O)CO

Other Identifiers

Properties
HBA: 18 RingCount: 8
HBD: 10 FractionCSP3: 0.91
AlogP: 1.4 Num_rotatable_bonds: 9
MolWt: 913.06 Num_heavy_atoms: 64
TPSA: 291.82 NumAromaticRings: 0

Unique Aglycone
AD00086
Formula: C30H48O3

Smiles:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1
HBA: 3 RingCount: 5
HBD: 2 FractionCSP3: 0.9
AlogP: 7.23 Num_rotatable_bonds: 1
MolWt: 456.71 Num_heavy_atoms: 33
TPSA: 57.53 NumAromaticRings: 0

Sugarmoiety
SD07122

O=C(O)C1OC(O)C(OC2OCC(O)C(O)C2O)C(O)C1OC1OC(O)C(O)C1(O)CO