Glycoside
GD025825
Name:
NoneFormula:
C22H23O4N5Smiles:
OC[C@@H]1OC(n2cnc3c(NCCc4cccc5ccccc45)ncnc32)[C@H](O)[C@H]1OAglycone:
C1=Nc2c(ncnc2NCCc2cccc3ccccc23)[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.32 |
| AlogP: | 1.25 | Num_rotatable_bonds: | 6 |
| MolWt: | 421.46 | Num_heavy_atoms: | 31 |
| TPSA: | 125.55 | NumAromaticRings: | 4 |
Unique Aglycone
AD17088
Formula: C17H14N5
Smiles:
C1=Nc2c(ncnc2NCCc2cccc3ccccc23)[N]1| HBA: | 5 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 3.19 | Num_rotatable_bonds: | 4 |
| MolWt: | 288.33 | Num_heavy_atoms: | 22 |
| TPSA: | 64.27 | NumAromaticRings: | 3 |
