Glycoside
...
GD117035

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

Formula:
C21H20O13S

Smiles:
O=c1cc(-c2ccc(O)cc2)oc2cc(O)c(C3OC(CO)C(O)C(O)C3OS(=O)(=O)O)c(O)c12

Aglycone:
O=S(=O)(O)O.O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12

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

Other Identifiers

Properties
HBA: 13 RingCount: 4
HBD: 7 FractionCSP3: 0.29
AlogP: -0.08 Num_rotatable_bonds: 5
MolWt: 512.45 Num_heavy_atoms: 35
TPSA: 224.42 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
AD00529
Formula: C15H10O5

Smiles:
O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12
HBA: 5 RingCount: 3
HBD: 3 FractionCSP3: 0.0
AlogP: 2.58 Num_rotatable_bonds: 1
MolWt: 270.24 Num_heavy_atoms: 20
TPSA: 90.9 NumAromaticRings: 3

Sugarmoiety
SD00003

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