Glycoside
GD006886
Name:
NoneFormula:
C25H27O4N5Smiles:
CC(CNc1ncnc2c1ncn2C1O[C@H](CO)[C@H](O)[C@H]1O)(c1ccccc1)c1ccccc1Aglycone:
CC(CNc1ncnc2c1N=C[N]2)(c1ccccc1)c1ccccc1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.32 |
| AlogP: | 1.86 | Num_rotatable_bonds: | 7 |
| MolWt: | 461.52 | Num_heavy_atoms: | 34 |
| TPSA: | 125.55 | NumAromaticRings: | 4 |
Unique Aglycone
AD05650
Formula: C20H18N5
Smiles:
CC(CNc1ncnc2c1N=C[N]2)(c1ccccc1)c1ccccc1| HBA: | 5 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.15 |
| AlogP: | 3.8 | Num_rotatable_bonds: | 5 |
| MolWt: | 328.4 | Num_heavy_atoms: | 25 |
| TPSA: | 64.27 | NumAromaticRings: | 3 |
