Glycoside
GD004729
Name:
NoneFormula:
C25H27O4N5Smiles:
OC[C@@H]1OC(n2cnc3c(NCCC(c4ccccc4)c4ccccc4)ncnc32)[C@H](O)[C@H]1OAglycone:
C1=Nc2c(ncnc2NCCC(c2ccccc2)c2ccccc2)[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.32 |
| AlogP: | 2.07 | Num_rotatable_bonds: | 8 |
| MolWt: | 461.52 | Num_heavy_atoms: | 34 |
| TPSA: | 125.55 | NumAromaticRings: | 4 |
Unique Aglycone
AD04088
Formula: C20H18N5
Smiles:
C1=Nc2c(ncnc2NCCC(c2ccccc2)c2ccccc2)[N]1| HBA: | 5 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.15 |
| AlogP: | 4.02 | Num_rotatable_bonds: | 6 |
| MolWt: | 328.4 | Num_heavy_atoms: | 25 |
| TPSA: | 64.27 | NumAromaticRings: | 3 |
