Glycoside
GD096408
Name:
NoneFormula:
C24H32O7N3Smiles:
C[NH+]1CCN(C(=O)c2ccc(Nc3ccc(O[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(O)cc3)cc2)CC1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.46 |
| AlogP: | -1.42 | Num_rotatable_bonds: | 6 |
| MolWt: | 474.53 | Num_heavy_atoms: | 34 |
| TPSA: | 136.16 | NumAromaticRings: | 2 |
Unique Aglycone
AD41002
Formula: C18H22O2N3
Smiles:
C[NH+]1CCN(C(=O)c2ccc(Nc3ccc(O)cc3)cc2)CC1| HBA: | 5 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.28 |
| AlogP: | 1.11 | Num_rotatable_bonds: | 3 |
| MolWt: | 312.39 | Num_heavy_atoms: | 23 |
| TPSA: | 57.01 | NumAromaticRings: | 2 |
