Glycoside
...
GD121185

Name:
2-hydroxy-5-({3,4,5-trihydroxy-6-[(4-hydroxy-3,5-dimethoxybenzoyloxy)methyl]oxan-2-yl}oxy)benzoic acid

Formula:
C22H24O13

Smiles:
COc1cc(C(=O)OCC2OC(Oc3ccc(O)c(C(=O)O)c3)C(O)C(O)C2O)cc(OC)c1O

Aglycone:
COC(=O)c1cc(OC)c(O)c(OC)c1.O=C(O)c1cc(O)ccc1O

Sugarmoiety:
OC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 13 RingCount: 3
HBD: 6 FractionCSP3: 0.36
AlogP: -0.14 Num_rotatable_bonds: 8
MolWt: 496.42 Num_heavy_atoms: 35
TPSA: 201.67 NumAromaticRings: 2

Unique Aglycone
AD00094
Formula: C10H12O5

Smiles:
COC(=O)c1cc(OC)c(O)c(OC)c1
HBA: 5 RingCount: 1
HBD: 1 FractionCSP3: 0.3
AlogP: 1.2 Num_rotatable_bonds: 3
MolWt: 212.2 Num_heavy_atoms: 15
TPSA: 64.99 NumAromaticRings: 1
AD05966
Formula: C7H6O4

Smiles:
O=C(O)c1cc(O)ccc1O
HBA: 4 RingCount: 1
HBD: 3 FractionCSP3: 0.0
AlogP: 0.8 Num_rotatable_bonds: 1
MolWt: 154.12 Num_heavy_atoms: 11
TPSA: 77.76 NumAromaticRings: 1

Sugarmoiety
SD00017

OC1OC(O)C(O)C(O)C1O