Glycoside
...
GD083064

Name:
None

Formula:
C16H20O11S

Smiles:
Cc1cc(=O)oc2cc(O[C@H]3O[C@@H](COS(O)(O)O)[C@@H](O)[C@@H](O)[C@H]3O)ccc12

Aglycone:
COS(O)(O)O.Cc1cc(=O)oc2cc(O)ccc12

Sugarmoiety:
OC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 11 RingCount: 3
HBD: 6 FractionCSP3: 0.44
AlogP: 0.44 Num_rotatable_bonds: 5
MolWt: 420.39 Num_heavy_atoms: 28
TPSA: 179.28 NumAromaticRings: 2

Unique Aglycone
AD00685
Formula: C10H8O3

Smiles:
Cc1cc(=O)oc2cc(O)ccc12
HBA: 3 RingCount: 2
HBD: 1 FractionCSP3: 0.1
AlogP: 1.81 Num_rotatable_bonds: 0
MolWt: 176.17 Num_heavy_atoms: 13
TPSA: 50.44 NumAromaticRings: 2
AD12993
Formula: CH6O4S

Smiles:
COS(O)(O)O
HBA: 4 RingCount: 0
HBD: 3 FractionCSP3: 1.0
AlogP: 0.77 Num_rotatable_bonds: 1
MolWt: 114.12 Num_heavy_atoms: 6
TPSA: 69.92 NumAromaticRings: 0

Sugarmoiety
SD00017

OC1OC(O)C(O)C(O)C1O