Glycoside
...
GD130723

Name:
2-hydroxy-3-oxo-3-{[3,4,5-trihydroxy-4-(hydroxymethyl)-6-{[3-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}oxan-2-yl]methoxy}propanoic acid

Formula:
C25H24O14

Smiles:
O=C(O)C(O)C(=O)OCC1OC(Oc2ccc3c(=O)c(-c4ccc(O)cc4)coc3c2)C(O)C(O)(CO)C1O

Aglycone:
COC(=O)C(O)C(=O)O.O=c1c(-c2ccc(O)cc2)coc2cc(O)ccc12

Sugarmoiety:
OCC1(O)C(O)C(O)OC(O)C1O

Other Identifiers

Properties
HBA: 14 RingCount: 4
HBD: 7 FractionCSP3: 0.32
AlogP: -1.3 Num_rotatable_bonds: 8
MolWt: 548.45 Num_heavy_atoms: 39
TPSA: 233.65 NumAromaticRings: 3

Unique Aglycone
AD04556
Formula: C15H10O4

Smiles:
O=c1c(-c2ccc(O)cc2)coc2cc(O)ccc12
HBA: 4 RingCount: 3
HBD: 2 FractionCSP3: 0.0
AlogP: 2.87 Num_rotatable_bonds: 1
MolWt: 254.24 Num_heavy_atoms: 19
TPSA: 70.67 NumAromaticRings: 3
AD46046
Formula: C4H6O5

Smiles:
COC(=O)C(O)C(=O)O
HBA: 5 RingCount: 0
HBD: 2 FractionCSP3: 0.5
AlogP: -1.4 Num_rotatable_bonds: 2
MolWt: 134.09 Num_heavy_atoms: 9
TPSA: 83.83 NumAromaticRings: 0

Sugarmoiety
SD04574

OCC1(O)C(O)C(O)OC(O)C1O