Glycoside
...
GD114571

Name:
3-oxo-3-[(3,4,5-trihydroxy-6-{[3-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-7-yl]oxy}oxan-2-yl)methoxy]propanoic acid

Formula:
C24H24O12

Smiles:
O=C(O)CC(=O)OCC1OC(Oc2ccc3c(c2)OCC(c2ccc(O)cc2)C3=O)C(O)C(O)C1O

Aglycone:
COC(=O)CC(=O)O.O=C1c2ccc(O)cc2OCC1c1ccc(O)cc1

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

Other Identifiers

Properties
HBA: 12 RingCount: 4
HBD: 5 FractionCSP3: 0.38
AlogP: -0.04 Num_rotatable_bonds: 7
MolWt: 504.44 Num_heavy_atoms: 36
TPSA: 189.28 NumAromaticRings: 2

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
AD10433
Formula: C15H12O4

Smiles:
O=C1c2ccc(O)cc2OCC1c1ccc(O)cc1
HBA: 4 RingCount: 3
HBD: 2 FractionCSP3: 0.13
AlogP: 2.46 Num_rotatable_bonds: 1
MolWt: 256.26 Num_heavy_atoms: 19
TPSA: 66.76 NumAromaticRings: 2

Sugarmoiety
SD00017

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