Glycoside
...
GD089148

Name:
None

Formula:
C16H18O12S

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

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

Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 12 RingCount: 3
HBD: 6 FractionCSP3: 0.38
AlogP: 0.54 Num_rotatable_bonds: 5
MolWt: 434.38 Num_heavy_atoms: 29
TPSA: 196.35 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
AD24829
Formula: H4O4S

Smiles:
OS(O)(O)O
HBA: 4 RingCount: 0
HBD: 4 FractionCSP3: 0.0
AlogP: 0.68 Num_rotatable_bonds: 0
MolWt: 100.09 Num_heavy_atoms: 5
TPSA: 80.92 NumAromaticRings: 0

Sugarmoiety
SD00030

O=C(O)C1OC(O)C(O)C(O)C1O