Glycoside
GD100207
Name:
NoneFormula:
C23H25O7N3SSmiles:
Cc1cc(=O)n(-c2ccc(C(=O)Nc3ccc(S[C@@H]4O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]4O)cc3)cc2)[nH]1Aglycone:
Cc1cc(=O)n(-c2ccc(C(=O)Nc3ccc(S)cc3)cc2)[nH]1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.3 |
| AlogP: | 0.62 | Num_rotatable_bonds: | 6 |
| MolWt: | 487.53 | Num_heavy_atoms: | 34 |
| TPSA: | 157.04 | NumAromaticRings: | 3 |
Unique Aglycone
AD42347
Formula: C17H15O2N3S
Smiles:
Cc1cc(=O)n(-c2ccc(C(=O)Nc3ccc(S)cc3)cc2)[nH]1| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.06 |
| AlogP: | 3.02 | Num_rotatable_bonds: | 3 |
| MolWt: | 325.39 | Num_heavy_atoms: | 23 |
| TPSA: | 66.89 | NumAromaticRings: | 3 |
