Glycoside
GD020011
Name:
NoneFormula:
C17H25O4N5Smiles:
OC[C@@H]1O[C@H](n2cnc3c(CCN4CCCCC4)ncnc32)[C@H](O)[C@H]1OAglycone:
C1=Nc2c(CCN3CCCCC3)ncnc2[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.71 |
| AlogP: | -0.53 | Num_rotatable_bonds: | 5 |
| MolWt: | 363.42 | Num_heavy_atoms: | 26 |
| TPSA: | 116.76 | NumAromaticRings: | 2 |
Unique Aglycone
AD13882
Formula: C12H16N5
Smiles:
C1=Nc2c(CCN3CCCCC3)ncnc2[N]1| HBA: | 5 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.58 |
| AlogP: | 1.41 | Num_rotatable_bonds: | 3 |
| MolWt: | 230.29 | Num_heavy_atoms: | 17 |
| TPSA: | 55.48 | NumAromaticRings: | 1 |
