Glycoside
...
GD146705

Name:
(6-{[5,7-dihydroxy-4-oxo-2-(3,4,5-trihydroxyphenyl)-4H-chromen-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methyl acetate

Formula:
C23H22O14

Smiles:
CC(=O)OCC1OC(Oc2c(-c3cc(O)c(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)C(O)C(O)C1O

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

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

Other Identifiers

Properties
HBA: 14 RingCount: 4
HBD: 8 FractionCSP3: 0.3
AlogP: -0.26 Num_rotatable_bonds: 5
MolWt: 522.42 Num_heavy_atoms: 37
TPSA: 236.81 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
SD00017

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