Glycoside
...
GD137925

Name:
4,5-dihydroxy-6-{[5-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}-3-(sulfooxy)oxane-2-carboxylic acid

Formula:
C23H22O16S

Smiles:
COc1cc(-c2cc(=O)c3c(O)cc(OC4OC(C(=O)O)C(OS(=O)(=O)O)C(O)C4O)cc3o2)cc(OC)c1O

Aglycone:
COc1cc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc(OC)c1O.O=S(=O)(O)O

Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 16 RingCount: 4
HBD: 6 FractionCSP3: 0.3
AlogP: -0.01 Num_rotatable_bonds: 8
MolWt: 586.48 Num_heavy_atoms: 40
TPSA: 248.95 NumAromaticRings: 3

Unique Aglycone
AD00034
Formula: H2O4S

Smiles:
O=S(=O)(O)O
HBA: 4 RingCount: 0
HBD: 2 FractionCSP3: 0.0
AlogP: -0.65 Num_rotatable_bonds: 0
MolWt: 98.08 Num_heavy_atoms: 5
TPSA: 74.6 NumAromaticRings: 0
AD08658
Formula: C17H14O7

Smiles:
COc1cc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc(OC)c1O
HBA: 7 RingCount: 3
HBD: 3 FractionCSP3: 0.12
AlogP: 2.59 Num_rotatable_bonds: 3
MolWt: 330.29 Num_heavy_atoms: 24
TPSA: 109.36 NumAromaticRings: 3

Sugarmoiety
SD00030

O=C(O)C1OC(O)C(O)C(O)C1O