Glycoside
GD096100
Name:
NoneFormula:
C18H19O8N3S2Smiles:
O=S(=O)(Nc1ccc(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1)c1ccc2nsnc2c1Aglycone:
O=S(=O)(Nc1ccc(O)cc1)c1ccc2nsnc2c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.33 |
| AlogP: | -0.33 | Num_rotatable_bonds: | 6 |
| MolWt: | 469.5 | Num_heavy_atoms: | 31 |
| TPSA: | 171.33 | NumAromaticRings: | 3 |
Unique Aglycone
AD40871
Formula: C12H9O3N3S2
Smiles:
O=S(=O)(Nc1ccc(O)cc1)c1ccc2nsnc2c1| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 2.2 | Num_rotatable_bonds: | 3 |
| MolWt: | 307.36 | Num_heavy_atoms: | 20 |
| TPSA: | 92.18 | NumAromaticRings: | 3 |
