Glycoside
GD081135
Name:
NoneFormula:
C15H18O7N2S2Smiles:
O=S(=O)(N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O)c1ccc(-c2ccccn2)s1Aglycone:
NS(=O)(=O)c1ccc(-c2ccccn2)s1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.4 |
| AlogP: | -1.11 | Num_rotatable_bonds: | 5 |
| MolWt: | 402.45 | Num_heavy_atoms: | 26 |
| TPSA: | 149.21 | NumAromaticRings: | 2 |
Unique Aglycone
AD36587
Formula: C9H8O2N2S2
Smiles:
NS(=O)(=O)c1ccc(-c2ccccn2)s1| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.46 | Num_rotatable_bonds: | 2 |
| MolWt: | 240.31 | Num_heavy_atoms: | 15 |
| TPSA: | 73.05 | NumAromaticRings: | 2 |
