Glycoside
GD004377
Name:
NoneFormula:
C15H19O3N5Smiles:
CCCCC#Cc1nc2c(N)ncnc2n1[C@@H]1OC[C@H](O)[C@H]1OAglycone:
CCCCC#CC1=Nc2c(N)ncnc2[N]1Sugarmoiety:
OC1COC(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.53 |
| AlogP: | 0.2 | Num_rotatable_bonds: | 3 |
| MolWt: | 317.35 | Num_heavy_atoms: | 23 |
| TPSA: | 119.31 | 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 |
