Glycoside
GD016899
Name:
NoneFormula:
C16H19O4N5Smiles:
OC[C@H](O)[C@H](O)[C@H](O)c1c[nH]c(-c2ncn(Cc3ccccc3)n2)n1Aglycone:
c1ccc(Cn2cnc(-c3ncc[nH]3)n2)cc1Sugarmoiety:
OCC(O)C(O)C(O)OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.31 |
| AlogP: | -0.54 | Num_rotatable_bonds: | 7 |
| MolWt: | 345.36 | Num_heavy_atoms: | 25 |
| TPSA: | 140.31 | NumAromaticRings: | 3 |
Unique Aglycone
AD12115
Formula: C12H11N5
Smiles:
c1ccc(Cn2cnc(-c3ncc[nH]3)n2)cc1| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.08 |
| AlogP: | 1.72 | Num_rotatable_bonds: | 3 |
| MolWt: | 225.26 | Num_heavy_atoms: | 17 |
| TPSA: | 59.39 | NumAromaticRings: | 3 |
