Glycoside
...
GD118235

Name:
3-{[4,4,6a,6b,11,11,14b-heptamethyl-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}-6-oxo-1,4-dioxane-2-carboxylic acid

Formula:
C41H62O13

Smiles:
CC1(C)CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CCC(OC6OCC(=O)OC6C(=O)O)C(C)(C)C5CCC43C)C2C1

Aglycone:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(OC6OCC(=O)OC6C(=O)O)C(C)(C)C5CCC43C)C2C1

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 13 RingCount: 7
HBD: 5 FractionCSP3: 0.88
AlogP: 3.87 Num_rotatable_bonds: 6
MolWt: 762.93 Num_heavy_atoms: 54
TPSA: 198.51 NumAromaticRings: 0

Unique Aglycone
AD47253
Formula: C35H52O8

Smiles:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(OC6OCC(=O)OC6C(=O)O)C(C)(C)C5CCC43C)C2C1
HBA: 8 RingCount: 6
HBD: 2 FractionCSP3: 0.86
AlogP: 6.61 Num_rotatable_bonds: 4
MolWt: 600.79 Num_heavy_atoms: 43
TPSA: 119.36 NumAromaticRings: 0

Sugarmoiety
SD00003

OCC1OC(O)C(O)C(O)C1O