Glycoside
...
GD140650

Name:
[3-(acetyloxy)-5-{[5,7-dihydroxy-4-oxo-2-(3,4,5-trihydroxyphenyl)-4H-chromen-3-yl]oxy}-4-hydroxyoxolan-2-yl]methyl acetate

Formula:
C24H22O14

Smiles:
CC(=O)OCC1OC(Oc2c(-c3cc(O)c(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)C(O)C1OC(C)=O

Aglycone:
COC(C)=O.O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12

Sugarmoiety:
CC(=O)OC1C(O)OC(O)C1O

Other Identifiers

Properties
HBA: 14 RingCount: 4
HBD: 6 FractionCSP3: 0.29
AlogP: 0.95 Num_rotatable_bonds: 6
MolWt: 534.43 Num_heavy_atoms: 38
TPSA: 222.65 NumAromaticRings: 3

Unique Aglycone
AD00017
Formula: C3H6O2

Smiles:
COC(C)=O
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.67
AlogP: 0.18 Num_rotatable_bonds: 0
MolWt: 74.08 Num_heavy_atoms: 5
TPSA: 26.3 NumAromaticRings: 0
AD01074
Formula: C15H10O8

Smiles:
O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12
HBA: 8 RingCount: 3
HBD: 6 FractionCSP3: 0.0
AlogP: 1.69 Num_rotatable_bonds: 1
MolWt: 318.24 Num_heavy_atoms: 23
TPSA: 151.59 NumAromaticRings: 3

Sugarmoiety
SD00772

CC(=O)OC1C(O)OC(O)C1O