Glycoside
GD020236
Name:
NoneFormula:
C24H25O4N5Smiles:
OC[C@@H]1O[C@H](n2cnc3c(NCC(c4ccccc4)c4ccccc4)ncnc32)[C@H](O)[C@H]1OAglycone:
C1=Nc2c(ncnc2NCC(c2ccccc2)c2ccccc2)[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.29 |
| AlogP: | 1.68 | Num_rotatable_bonds: | 7 |
| MolWt: | 447.5 | Num_heavy_atoms: | 33 |
| TPSA: | 125.55 | NumAromaticRings: | 4 |
Unique Aglycone
AD08489
Formula: C19H16N5
Smiles:
C1=Nc2c(ncnc2NCC(c2ccccc2)c2ccccc2)[N]1| HBA: | 5 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.11 |
| AlogP: | 3.63 | Num_rotatable_bonds: | 5 |
| MolWt: | 314.37 | Num_heavy_atoms: | 24 |
| TPSA: | 64.27 | NumAromaticRings: | 3 |
