Glycoside
...
GD120883

Name:
4,9-bis(acetyloxy)-3a-(2-hydroxypropan-2-yl)-1,8a-dimethyl-5-methylidene-2-oxo-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2H,3H,3aH,4H,4aH,5H,6H,7H,8H,8aH,9H,10H-cyclohexa[f]azulen-10-yl benzoate

Formula:
C37H48O14

Smiles:
C=C1C(OC2OC(CO)C(O)C(O)C2O)CCC2(C)C(OC(C)=O)C(OC(=O)c3ccccc3)C3=C(C)C(=O)CC3(C(C)(C)O)C(OC(C)=O)C12

Aglycone:
C=C1C(O)CCC2(C)C(OC(C)=O)C(OC(=O)c3ccccc3)C3=C(C)C(=O)CC3(C(C)(C)O)C(OC(C)=O)C12

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

Other Identifiers

Properties
HBA: 14 RingCount: 5
HBD: 5 FractionCSP3: 0.62
AlogP: 1.29 Num_rotatable_bonds: 8
MolWt: 716.78 Num_heavy_atoms: 51
TPSA: 215.58 NumAromaticRings: 1

Unique Aglycone
AD48605
Formula: C31H38O9

Smiles:
C=C1C(O)CCC2(C)C(OC(C)=O)C(OC(=O)c3ccccc3)C3=C(C)C(=O)CC3(C(C)(C)O)C(OC(C)=O)C12
HBA: 9 RingCount: 4
HBD: 2 FractionCSP3: 0.55
AlogP: 3.47 Num_rotatable_bonds: 5
MolWt: 554.64 Num_heavy_atoms: 40
TPSA: 136.43 NumAromaticRings: 1

Sugarmoiety
SD00003

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