Glycoside
GD021379
Name:
NoneFormula:
C17H20O6N2SSmiles:
Cc1ccc(C(=O)c2cnc(N[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)s2)cc1Aglycone:
Cc1ccc(C(=O)c2cnc(N)s2)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.41 |
| AlogP: | -0.11 | Num_rotatable_bonds: | 5 |
| MolWt: | 380.42 | Num_heavy_atoms: | 26 |
| TPSA: | 132.14 | NumAromaticRings: | 2 |
Unique Aglycone
AD14631
Formula: C11H10ON2S
Smiles:
Cc1ccc(C(=O)c2cnc(N)s2)cc1| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.09 |
| AlogP: | 2.26 | Num_rotatable_bonds: | 2 |
| MolWt: | 218.28 | Num_heavy_atoms: | 15 |
| TPSA: | 55.98 | NumAromaticRings: | 2 |
