Glycoside
GD100176
Name:
NoneFormula:
C18H19O7N3S3Smiles:
O=S(=O)(Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@@H]2O)cc1)c1ccc2nsnc2c1Aglycone:
O=S(=O)(Nc1ccc(S)cc1)c1ccc2nsnc2c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.33 |
| AlogP: | 0.38 | Num_rotatable_bonds: | 6 |
| MolWt: | 485.57 | Num_heavy_atoms: | 31 |
| TPSA: | 162.1 | NumAromaticRings: | 3 |
Unique Aglycone
AD42334
Formula: C12H9O2N3S3
Smiles:
O=S(=O)(Nc1ccc(S)cc1)c1ccc2nsnc2c1| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 2.78 | Num_rotatable_bonds: | 3 |
| MolWt: | 323.42 | Num_heavy_atoms: | 20 |
| TPSA: | 71.95 | NumAromaticRings: | 3 |
