Glycoside
GD045540
Name:
NoneFormula:
C12H13O6NSSmiles:
O=C(O)[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)c1nc2ccccc2s1Aglycone:
c1ccc2scnc2c1Sugarmoiety:
O=C(O)C(O)C(O)C(O)C(O)OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.33 |
| AlogP: | -0.5 | Num_rotatable_bonds: | 5 |
| MolWt: | 299.3 | Num_heavy_atoms: | 20 |
| TPSA: | 131.11 | NumAromaticRings: | 2 |
Unique Aglycone
AD02122
Formula: C7H5NS
Smiles:
c1ccc2scnc2c1| HBA: | 1 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 2.3 | Num_rotatable_bonds: | 0 |
| MolWt: | 135.19 | Num_heavy_atoms: | 9 |
| TPSA: | 12.89 | NumAromaticRings: | 2 |
