Glycoside
GD081125
Name:
NoneFormula:
C17H20O8N2SSmiles:
O=S(=O)(N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O)c1ccc(Oc2ccccn2)cc1Aglycone:
NS(=O)(=O)c1ccc(Oc2ccccn2)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.35 |
| AlogP: | -1.05 | Num_rotatable_bonds: | 6 |
| MolWt: | 412.42 | Num_heavy_atoms: | 28 |
| TPSA: | 158.44 | NumAromaticRings: | 2 |
Unique Aglycone
AD36580
Formula: C11H10O3N2S
Smiles:
NS(=O)(=O)c1ccc(Oc2ccccn2)cc1| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.52 | Num_rotatable_bonds: | 3 |
| MolWt: | 250.28 | Num_heavy_atoms: | 17 |
| TPSA: | 82.28 | NumAromaticRings: | 2 |
