Glycoside
...
GD116944

Name:
6-{[4,4,6a,6b,14b-pentamethyl-11-methylidene-8a-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}carbonyl)-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl]oxy}-3,5-dihydroxy-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxane-2-carboxylic acid

Formula:
C46H70O18

Smiles:
C=C1CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(OC7OCC(O)C(O)C7O)C6O)C(C)(C)C5CCC43C)C2C1

Aglycone:
C=C1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1

Sugarmoiety:
O=C(O)C1OC(O)C(O)C(OC2OCC(O)C(O)C2O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 18 RingCount: 8
HBD: 10 FractionCSP3: 0.87
AlogP: 0.4 Num_rotatable_bonds: 8
MolWt: 911.05 Num_heavy_atoms: 64
TPSA: 291.82 NumAromaticRings: 0

Unique Aglycone
AD05107
Formula: C29H44O3

Smiles:
C=C1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1
HBA: 3 RingCount: 5
HBD: 2 FractionCSP3: 0.83
AlogP: 6.76 Num_rotatable_bonds: 1
MolWt: 440.67 Num_heavy_atoms: 32
TPSA: 57.53 NumAromaticRings: 0

Sugarmoiety
SD01358

O=C(O)C1OC(O)C(O)C(OC2OCC(O)C(O)C2O)C1O.OCC1OC(O)C(O)C(O)C1O