Glycoside
GD008359
Name:
NoneFormula:
C15H18O4N6Smiles:
C[C@]1(O)[C@H](O)[C@H](CO)O[C@H]1n1cc(-c2cc[nH]n2)c2c(N)ncnc21Aglycone:
Nc1ncnc2c1C(c1cc[nH]n1)=C[N]2Sugarmoiety:
CC1(O)C(O)OC(CO)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.4 |
| AlogP: | -0.59 | Num_rotatable_bonds: | 3 |
| MolWt: | 346.35 | Num_heavy_atoms: | 25 |
| TPSA: | 155.33 | NumAromaticRings: | 3 |
Unique Aglycone
AD05840
Formula: C9H7N6
Smiles:
Nc1ncnc2c1C(c1cc[nH]n1)=C[N]2| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 0.42 | Num_rotatable_bonds: | 1 |
| MolWt: | 199.2 | Num_heavy_atoms: | 15 |
| TPSA: | 94.58 | NumAromaticRings: | 2 |
