Glycoside
...
GD144979

Name:
3-hydroxy-4-methoxy-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]benzoic acid

Formula:
C20H28O14

Smiles:
COc1c(OC2OC(C)C(O)C(O)C2O)cc(C(=O)O)c(C2OC(CO)C(O)C(O)C2O)c1O

Aglycone:
COc1c(O)cc(C(=O)O)cc1O

Sugarmoiety:
CC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 14 RingCount: 3
HBD: 9 FractionCSP3: 0.65
AlogP: -3.18 Num_rotatable_bonds: 6
MolWt: 492.43 Num_heavy_atoms: 34
TPSA: 236.06 NumAromaticRings: 1

Unique Aglycone
AD45901
Formula: C8H8O5

Smiles:
COc1c(O)cc(C(=O)O)cc1O
HBA: 5 RingCount: 1
HBD: 3 FractionCSP3: 0.12
AlogP: 0.8 Num_rotatable_bonds: 2
MolWt: 184.15 Num_heavy_atoms: 13
TPSA: 86.99 NumAromaticRings: 1

Sugarmoiety
SD00170

CC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O