Glycoside
GD100414
Name:
NoneFormula:
C24H32O6N3SSmiles:
C[NH+]1CCN(C(=O)c2ccc(Nc3ccc(S[C@@H]4O[C@H](CO)[C@H](O)[C@@H](O)[C@H]4O)cc3)cc2)CC1Aglycone:
C[NH+]1CCN(C(=O)c2ccc(Nc3ccc(S)cc3)cc2)CC1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.46 |
| AlogP: | -0.71 | Num_rotatable_bonds: | 6 |
| MolWt: | 490.6 | Num_heavy_atoms: | 34 |
| TPSA: | 126.93 | NumAromaticRings: | 2 |
Unique Aglycone
AD42437
Formula: C18H22ON3S
Smiles:
C[NH+]1CCN(C(=O)c2ccc(Nc3ccc(S)cc3)cc2)CC1| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.28 |
| AlogP: | 1.69 | Num_rotatable_bonds: | 3 |
| MolWt: | 328.46 | Num_heavy_atoms: | 23 |
| TPSA: | 36.78 | NumAromaticRings: | 2 |
