Glycoside
...
GD014096

Name:
3,5-dihydroxy-2-(hydroxymethyl)-6-[(1,3,6,7-tetrahydroxy-9-oxo-9H-xanthen-2-yl)oxy]oxan-4-yl 4-hydroxybenzoate

Formula:
C26H22O14

Smiles:
O=C(O[C@@H]1[C@H](O)[C@H](Oc2c(O)cc3oc4cc(O)c(O)cc4c(=O)c3c2O)O[C@H](CO)[C@H]1O)c1ccc(O)cc1

Aglycone:
O=C(O)c1ccc(O)cc1.O=c1c2cc(O)c(O)cc2oc2cc(O)c(O)c(O)c12

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

Other Identifiers

Properties
HBA: 14 RingCount: 5
HBD: 8 FractionCSP3: 0.23
AlogP: 0.52 Num_rotatable_bonds: 5
MolWt: 558.45 Num_heavy_atoms: 40
TPSA: 236.81 NumAromaticRings: 4

Unique Aglycone
AD02360
Formula: C7H6O3

Smiles:
O=C(O)c1ccc(O)cc1
HBA: 3 RingCount: 1
HBD: 2 FractionCSP3: 0.0
AlogP: 1.09 Num_rotatable_bonds: 1
MolWt: 138.12 Num_heavy_atoms: 10
TPSA: 57.53 NumAromaticRings: 1
AD06591
Formula: C13H8O7

Smiles:
O=c1c2cc(O)c(O)cc2oc2cc(O)c(O)c(O)c12
HBA: 7 RingCount: 3
HBD: 5 FractionCSP3: 0.0
AlogP: 1.47 Num_rotatable_bonds: 0
MolWt: 276.2 Num_heavy_atoms: 20
TPSA: 131.36 NumAromaticRings: 3

Sugarmoiety
SD00003

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