Glycoside
...
GD131840

Name:
5,12-dihydroxy-11-oxo-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2,13-dioxatetracyclo[10.3.1.0¹,⁹.0³,⁸]hexadeca-3,5,7,9-tetraene-14-carboxylic acid

Formula:
C21H22O12

Smiles:
O=C(O)C1CC23CC(O)(O1)C(=O)C=C2c1ccc(O)c(C2OC(CO)C(O)C(O)C2O)c1O3

Aglycone:
O=C(O)C1CC23CC(O)(O1)C(=O)C=C2c1ccc(O)cc1O3

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

Other Identifiers

Properties
HBA: 12 RingCount: 5
HBD: 7 FractionCSP3: 0.52
AlogP: -2.04 Num_rotatable_bonds: 3
MolWt: 466.4 Num_heavy_atoms: 33
TPSA: 203.44 NumAromaticRings: 1

Unique Aglycone
AD53396
Formula: C15H12O7

Smiles:
O=C(O)C1CC23CC(O)(O1)C(=O)C=C2c1ccc(O)cc1O3
HBA: 7 RingCount: 4
HBD: 3 FractionCSP3: 0.33
AlogP: 0.44 Num_rotatable_bonds: 1
MolWt: 304.25 Num_heavy_atoms: 22
TPSA: 113.29 NumAromaticRings: 1

Sugarmoiety
SD00003

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