Glycoside
...
GD130968

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

Formula:
C24H22O15

Smiles:
O=C(O)CC(=O)OCC1OC(Oc2c(O)cc3oc(-c4ccc(O)c(O)c4)cc(=O)c3c2O)C(O)C(O)C1O

Aglycone:
COC(=O)CC(=O)O.O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O)c(O)c(O)c12

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

Other Identifiers

Properties
HBA: 15 RingCount: 4
HBD: 8 FractionCSP3: 0.29
AlogP: -0.51 Num_rotatable_bonds: 7
MolWt: 550.43 Num_heavy_atoms: 39
TPSA: 253.88 NumAromaticRings: 3

Unique Aglycone
AD04733
Formula: C4H6O4

Smiles:
COC(=O)CC(=O)O
HBA: 4 RingCount: 0
HBD: 1 FractionCSP3: 0.5
AlogP: -0.37 Num_rotatable_bonds: 2
MolWt: 118.09 Num_heavy_atoms: 8
TPSA: 63.6 NumAromaticRings: 0
AD06961
Formula: C15H10O7

Smiles:
O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O)c(O)c(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
SD00017

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