Glycoside
...
GD121279

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

Formula:
C21H19O15S

Smiles:
O=c1c(OC2OC(CO)C(O)C(O)C2OS(=O)(=O)O)c(-c2ccc(O)c(O)c2)oc2cc([O-])cc(O)c12

Aglycone:
O=S(=O)(O)O.O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc([O-])cc(O)c12

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

Other Identifiers

Properties
HBA: 15 RingCount: 4
HBD: 7 FractionCSP3: 0.29
AlogP: -1.34 Num_rotatable_bonds: 6
MolWt: 543.44 Num_heavy_atoms: 37
TPSA: 256.71 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
AD48809
Formula: C15H9O7

Smiles:
O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc([O-])cc(O)c12
HBA: 7 RingCount: 3
HBD: 4 FractionCSP3: 0.0
AlogP: 1.36 Num_rotatable_bonds: 1
MolWt: 301.23 Num_heavy_atoms: 22
TPSA: 134.19 NumAromaticRings: 3

Sugarmoiety
SD00003

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