Glycoside
GD012216
Name:
NoneFormula:
C17H25O4N5Smiles:
OC[C@@H]1OC(n2cnc3c(NCC4CCCCC4)ncnc32)[C@H](O)[C@H]1OAglycone:
C1=Nc2c(ncnc2NCC2CCCCC2)[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.71 |
| AlogP: | 0.43 | Num_rotatable_bonds: | 5 |
| MolWt: | 363.42 | Num_heavy_atoms: | 26 |
| TPSA: | 125.55 | NumAromaticRings: | 2 |
Unique Aglycone
AD09224
Formula: C12H16N5
Smiles:
C1=Nc2c(ncnc2NCC2CCCCC2)[N]1| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.58 |
| AlogP: | 2.38 | Num_rotatable_bonds: | 3 |
| MolWt: | 230.29 | Num_heavy_atoms: | 17 |
| TPSA: | 64.27 | NumAromaticRings: | 1 |
