Glycoside
...
GD127800

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

Formula:
C23H23O15S

Smiles:
COc1cc(-c2cc(=O)c3c([O-])cc(OC4OC(CO)C(O)C(O)C4OS(=O)(=O)O)cc3o2)cc(OC)c1O

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

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

Other Identifiers

Properties
HBA: 15 RingCount: 4
HBD: 5 FractionCSP3: 0.35
AlogP: -0.74 Num_rotatable_bonds: 8
MolWt: 571.49 Num_heavy_atoms: 39
TPSA: 234.71 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
AD51762
Formula: C17H13O7

Smiles:
COc1cc(-c2cc(=O)c3c([O-])cc(O)cc3o2)cc(OC)c1O
HBA: 7 RingCount: 3
HBD: 2 FractionCSP3: 0.12
AlogP: 1.96 Num_rotatable_bonds: 3
MolWt: 329.28 Num_heavy_atoms: 24
TPSA: 112.19 NumAromaticRings: 3

Sugarmoiety
SD00003

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