Glycoside
GD060282
Name:
NoneFormula:
C16H21O5N3Smiles:
OC[C@H]1O[C@H](O)[C@H](Nc2ccc(Cn3ccnc3)cc2)[C@@H](O)[C@@H]1OAglycone:
Nc1ccc(Cn2ccnc2)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.44 |
| AlogP: | -0.86 | Num_rotatable_bonds: | 5 |
| MolWt: | 335.36 | Num_heavy_atoms: | 24 |
| TPSA: | 120.0 | NumAromaticRings: | 2 |
Unique Aglycone
AD28008
Formula: C10H11N3
Smiles:
Nc1ccc(Cn2ccnc2)cc1| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.1 |
| AlogP: | 1.51 | Num_rotatable_bonds: | 2 |
| MolWt: | 173.22 | Num_heavy_atoms: | 13 |
| TPSA: | 43.84 | NumAromaticRings: | 2 |
