Glycoside
...
GD120810

Name:
2-{[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl sodium sulfate

Formula:
C21H19O14S

Smiles:
O=c1c(OC2OC(CO)C(O)C(O)C2OS(=O)(=O)O)c(-c2ccc([O-])cc2)oc2cc(O)cc(O)c12

Aglycone:
O=S(=O)(O)O.O=c1c(O)c(-c2ccc([O-])cc2)oc2cc(O)cc(O)c12

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 14 RingCount: 4
HBD: 6 FractionCSP3: 0.29
AlogP: -1.05 Num_rotatable_bonds: 6
MolWt: 527.44 Num_heavy_atoms: 36
TPSA: 236.48 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
AD48575
Formula: C15H9O6

Smiles:
O=c1c(O)c(-c2ccc([O-])cc2)oc2cc(O)cc(O)c12
HBA: 6 RingCount: 3
HBD: 3 FractionCSP3: 0.0
AlogP: 1.65 Num_rotatable_bonds: 1
MolWt: 285.23 Num_heavy_atoms: 21
TPSA: 113.96 NumAromaticRings: 3

Sugarmoiety
SD00003

OCC1OC(O)C(O)C(O)C1O