Glycoside
...
GD121735

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

Formula:
C30H34O16

Smiles:
CC(=O)OCC1OC(OC2C(C)OC(COc3c(-c4ccc(O)cc4)oc4cc(O)cc(O)c4c3=O)C(O)C2O)C(O)C(O)C1O

Aglycone:
COC(C)=O.COc1c(-c2ccc(O)cc2)oc2cc(O)cc(O)c2c1=O

Sugarmoiety:
CC1OC(O)C(O)C(O)C1OC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 16 RingCount: 5
HBD: 8 FractionCSP3: 0.47
AlogP: -0.78 Num_rotatable_bonds: 8
MolWt: 650.59 Num_heavy_atoms: 46
TPSA: 255.27 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
AD10717
Formula: C16H12O6

Smiles:
COc1c(-c2ccc(O)cc2)oc2cc(O)cc(O)c2c1=O
HBA: 6 RingCount: 3
HBD: 3 FractionCSP3: 0.06
AlogP: 2.59 Num_rotatable_bonds: 2
MolWt: 300.27 Num_heavy_atoms: 22
TPSA: 100.13 NumAromaticRings: 3

Sugarmoiety
SD02224

CC1OC(O)C(O)C(O)C1OC1OC(O)C(O)C(O)C1O