Glycoside
...
GD149826

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

Formula:
C24H22O14

Smiles:
O=C(O)CC(=O)OCC1OC(Oc2cc(O)ccc2-c2cc(=O)c3c(O)cc(O)cc3o2)C(O)C(O)C1O

Aglycone:
COC(=O)CC(=O)O.O=c1cc(-c2ccc(O)cc2O)oc2cc(O)cc(O)c12

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

Other Identifiers

Properties
HBA: 14 RingCount: 4
HBD: 7 FractionCSP3: 0.29
AlogP: -0.22 Num_rotatable_bonds: 7
MolWt: 534.43 Num_heavy_atoms: 38
TPSA: 233.65 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
AD47973
Formula: C15H10O6

Smiles:
O=c1cc(-c2ccc(O)cc2O)oc2cc(O)cc(O)c12
HBA: 6 RingCount: 3
HBD: 4 FractionCSP3: 0.0
AlogP: 2.28 Num_rotatable_bonds: 1
MolWt: 286.24 Num_heavy_atoms: 21
TPSA: 111.13 NumAromaticRings: 3

Sugarmoiety
SD00017

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