Glycoside
GD028909
Name:
NoneFormula:
C26H28O4N6Smiles:
OC[C@@H]1O[C@H](n2cnc3c(N4CCN(c5ccc(-c6ccccc6)cc5)CC4)ncnc32)[C@H](O)[C@H]1OAglycone:
C1=Nc2c(ncnc2N2CCN(c3ccc(-c4ccccc4)cc3)CC2)[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.35 |
| AlogP: | 1.43 | Num_rotatable_bonds: | 5 |
| MolWt: | 488.55 | Num_heavy_atoms: | 36 |
| TPSA: | 120.0 | NumAromaticRings: | 4 |
Unique Aglycone
AD18847
Formula: C21H19N6
Smiles:
C1=Nc2c(ncnc2N2CCN(c3ccc(-c4ccccc4)cc3)CC2)[N]1| HBA: | 6 | RingCount: | 5 |
| HBD: | 0 | FractionCSP3: | 0.19 |
| AlogP: | 3.38 | Num_rotatable_bonds: | 3 |
| MolWt: | 355.43 | Num_heavy_atoms: | 27 |
| TPSA: | 58.72 | NumAromaticRings: | 3 |
