Glycoside
GD001475
Name:
NoneFormula:
C18H25O4N5Smiles:
CCCCCCC#Cc1nc2c(N)ncnc2n1C1O[C@H](CO)[C@H](O)[C@H]1OAglycone:
CCCCCCC#CC1=Nc2c(N)ncnc2[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.61 |
| AlogP: | 0.34 | Num_rotatable_bonds: | 6 |
| MolWt: | 375.43 | Num_heavy_atoms: | 27 |
| TPSA: | 139.54 | NumAromaticRings: | 2 |
Unique Aglycone
AD01475
Formula: C13H16N5
Smiles:
CCCCCCC#CC1=Nc2c(N)ncnc2[N]1| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.46 |
| AlogP: | 2.31 | Num_rotatable_bonds: | 4 |
| MolWt: | 242.31 | Num_heavy_atoms: | 18 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
