Glycoside
...
GD131328

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

Formula:
C26H22O12

Smiles:
O=C(OC1C(O)C(CO)OC(c2c(O)cc3oc4cc(O)c(O)cc4c(=O)c3c2O)C1O)c1ccccc1

Aglycone:
O=C(O)c1ccccc1.O=c1c2cc(O)c(O)cc2oc2cc(O)cc(O)c12

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

Other Identifiers

Properties
HBA: 12 RingCount: 5
HBD: 7 FractionCSP3: 0.23
AlogP: 1.15 Num_rotatable_bonds: 4
MolWt: 526.45 Num_heavy_atoms: 38
TPSA: 207.35 NumAromaticRings: 4

Unique Aglycone
AD00002
Formula: C7H6O2

Smiles:
O=C(O)c1ccccc1
HBA: 2 RingCount: 1
HBD: 1 FractionCSP3: 0.0
AlogP: 1.38 Num_rotatable_bonds: 1
MolWt: 122.12 Num_heavy_atoms: 9
TPSA: 37.3 NumAromaticRings: 1
AD02582
Formula: C13H8O6

Smiles:
O=c1c2cc(O)c(O)cc2oc2cc(O)cc(O)c12
HBA: 6 RingCount: 3
HBD: 4 FractionCSP3: 0.0
AlogP: 1.77 Num_rotatable_bonds: 0
MolWt: 260.2 Num_heavy_atoms: 19
TPSA: 111.13 NumAromaticRings: 3

Sugarmoiety
SD00003

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