Glycoside
GD021961
Name:
NoneFormula:
C16H21O4N5Smiles:
CCCCC#Cc1nc2c(N)ncnc2n1[C@@H]1O[C@H](CO)[C@H](O)[C@H]1OAglycone:
CCCCC#CC1=Nc2c(N)ncnc2[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.56 |
| AlogP: | -0.44 | Num_rotatable_bonds: | 4 |
| MolWt: | 347.38 | Num_heavy_atoms: | 25 |
| TPSA: | 139.54 | NumAromaticRings: | 2 |
Unique Aglycone
AD03831
Formula: C11H12N5
Smiles:
CCCCC#CC1=Nc2c(N)ncnc2[N]1| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.36 |
| AlogP: | 1.53 | Num_rotatable_bonds: | 2 |
| MolWt: | 214.25 | Num_heavy_atoms: | 16 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
