Glycoside
GD023121
Name:
NoneFormula:
C25H25O4N5Smiles:
OC[C@@H]1OC(n2cnc3c(NCCC4c5ccccc5-c5ccccc54)ncnc32)[C@H](O)[C@H]1OAglycone:
C1=Nc2c(ncnc2NCCC2c3ccccc3-c3ccccc32)[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.32 |
| AlogP: | 2.05 | Num_rotatable_bonds: | 6 |
| MolWt: | 459.51 | Num_heavy_atoms: | 34 |
| TPSA: | 125.55 | NumAromaticRings: | 4 |
Unique Aglycone
AD15586
Formula: C20H16N5
Smiles:
C1=Nc2c(ncnc2NCCC2c3ccccc3-c3ccccc32)[N]1| HBA: | 5 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.15 |
| AlogP: | 4.0 | Num_rotatable_bonds: | 4 |
| MolWt: | 326.38 | Num_heavy_atoms: | 25 |
| TPSA: | 64.27 | NumAromaticRings: | 3 |
