Glycoside
GD089425
Name:
NoneFormula:
C17H20O7N2S2Smiles:
O=S(=O)(Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@@H]2O)cc1)c1cccnc1Aglycone:
O=S(=O)(Nc1ccc(S)cc1)c1cccnc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.35 |
| AlogP: | -0.23 | Num_rotatable_bonds: | 6 |
| MolWt: | 428.49 | Num_heavy_atoms: | 28 |
| TPSA: | 149.21 | NumAromaticRings: | 2 |
Unique Aglycone
AD39008
Formula: C11H10O2N2S2
Smiles:
O=S(=O)(Nc1ccc(S)cc1)c1cccnc1| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 2.17 | Num_rotatable_bonds: | 3 |
| MolWt: | 266.35 | Num_heavy_atoms: | 17 |
| TPSA: | 59.06 | NumAromaticRings: | 2 |
