Glycoside
...
GD120408

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

Formula:
C31H34O19

Smiles:
CC(=O)OCC1OC(OCC2OC(Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)C(O)C(O)C2O)C(OC(C)=O)C(O)C1O

Aglycone:
COC(C)=O.O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12

Sugarmoiety:
CC(=O)OC1C(OCC2OC(O)C(O)C(O)C2O)OC(O)C(O)C1O

Other Identifiers

Properties
HBA: 19 RingCount: 5
HBD: 9 FractionCSP3: 0.45
AlogP: -1.57 Num_rotatable_bonds: 9
MolWt: 710.59 Num_heavy_atoms: 50
TPSA: 301.8 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
AD00377
Formula: C15H10O7

Smiles:
O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12
HBA: 7 RingCount: 3
HBD: 5 FractionCSP3: 0.0
AlogP: 1.99 Num_rotatable_bonds: 1
MolWt: 302.24 Num_heavy_atoms: 22
TPSA: 131.36 NumAromaticRings: 3

Sugarmoiety
SD05613

CC(=O)OC1C(OCC2OC(O)C(O)C(O)C2O)OC(O)C(O)C1O