Glycoside
GD001149
Name:
NoneFormula:
C17H23O4N5Smiles:
OC[C@@H]1O[C@H](n2cnc3c(C=CN4CCCCC4)ncnc32)[C@H](O)[C@H]1OAglycone:
C(=CN1CCCCC1)c1ncnc2c1N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.59 |
| AlogP: | -0.11 | Num_rotatable_bonds: | 4 |
| MolWt: | 361.4 | Num_heavy_atoms: | 26 |
| TPSA: | 116.76 | NumAromaticRings: | 2 |
Unique Aglycone
AD01198
Formula: C12H14N5
Smiles:
C(=CN1CCCCC1)c1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.42 |
| AlogP: | 1.84 | Num_rotatable_bonds: | 2 |
| MolWt: | 228.28 | Num_heavy_atoms: | 17 |
| TPSA: | 55.48 | NumAromaticRings: | 1 |
