Glycoside
...
GD120141

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

Formula:
C21H24O13

Smiles:
CC(O)(CC(=O)O)CC(=O)OCC1OC(Oc2cc3ccc(=O)oc3cc2O)C(O)C(O)C1O

Aglycone:
COC(=O)CC(C)(O)CC(=O)O.O=c1ccc2cc(O)c(O)cc2o1

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

Other Identifiers

Properties
HBA: 13 RingCount: 3
HBD: 6 FractionCSP3: 0.48
AlogP: -1.16 Num_rotatable_bonds: 8
MolWt: 484.41 Num_heavy_atoms: 34
TPSA: 213.42 NumAromaticRings: 2

Unique Aglycone
AD01854
Formula: C7H12O5

Smiles:
COC(=O)CC(C)(O)CC(=O)O
HBA: 5 RingCount: 0
HBD: 2 FractionCSP3: 0.71
AlogP: -0.22 Num_rotatable_bonds: 4
MolWt: 176.17 Num_heavy_atoms: 12
TPSA: 83.83 NumAromaticRings: 0
AD03223
Formula: C9H6O4

Smiles:
O=c1ccc2cc(O)c(O)cc2o1
HBA: 4 RingCount: 2
HBD: 2 FractionCSP3: 0.0
AlogP: 1.2 Num_rotatable_bonds: 0
MolWt: 178.14 Num_heavy_atoms: 13
TPSA: 70.67 NumAromaticRings: 2

Sugarmoiety
SD00017

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