Glycoside
GD098523
Name:
NoneFormula:
C21H23O8N3SSmiles:
O=S(=O)(Nc1ccc(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)cc1)c1ccc(-n2cccn2)cc1Aglycone:
O=S(=O)(Nc1ccc(O)cc1)c1ccc(-n2cccn2)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.29 |
| AlogP: | -0.15 | Num_rotatable_bonds: | 7 |
| MolWt: | 477.5 | Num_heavy_atoms: | 33 |
| TPSA: | 163.37 | NumAromaticRings: | 3 |
Unique Aglycone
AD41894
Formula: C15H13O3N3S
Smiles:
O=S(=O)(Nc1ccc(O)cc1)c1ccc(-n2cccn2)cc1| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 2.38 | Num_rotatable_bonds: | 4 |
| MolWt: | 315.35 | Num_heavy_atoms: | 22 |
| TPSA: | 84.22 | NumAromaticRings: | 3 |
