Glycoside
GD091724
Name:
NoneFormula:
C21H25O6N5Smiles:
CC(=O)N[C@H]1[C@H](OCCn2cc(-c3ccc4ncccc4c3)nn2)O[C@H](CO)[C@@H](O)[C@@H]1OAglycone:
OCCn1cc(-c2ccc3ncccc3c2)nn1Sugarmoiety:
CC(=O)NC1C(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.43 |
| AlogP: | -0.55 | Num_rotatable_bonds: | 7 |
| MolWt: | 443.46 | Num_heavy_atoms: | 32 |
| TPSA: | 151.85 | NumAromaticRings: | 3 |
Unique Aglycone
AD40004
Formula: C13H12ON4
Smiles:
OCCn1cc(-c2ccc3ncccc3c2)nn1| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.15 |
| AlogP: | 1.49 | Num_rotatable_bonds: | 3 |
| MolWt: | 240.27 | Num_heavy_atoms: | 18 |
| TPSA: | 63.83 | NumAromaticRings: | 3 |
