Glycoside
GD001485
Name:
NoneFormula:
C26H24O4N5ClSmiles:
C[C@@H]1O[C@H](n2cc(-c3ccccc3)c3c(NCC(=O)Nc4ccc(Cl)cc4)ncnc32)[C@H](O)[C@H]1OAglycone:
O=C(CNc1ncnc2c1C(c1ccccc1)=C[N]2)Nc1ccc(Cl)cc1Sugarmoiety:
CC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.24 |
| AlogP: | 3.44 | Num_rotatable_bonds: | 6 |
| MolWt: | 493.95 | Num_heavy_atoms: | 35 |
| TPSA: | 121.53 | NumAromaticRings: | 4 |
Unique Aglycone
AD01484
Formula: C21H15ON5Cl
Smiles:
O=C(CNc1ncnc2c1C(c1ccccc1)=C[N]2)Nc1ccc(Cl)cc1| HBA: | 6 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.05 |
| AlogP: | 3.82 | Num_rotatable_bonds: | 5 |
| MolWt: | 376.83 | Num_heavy_atoms: | 27 |
| TPSA: | 81.01 | NumAromaticRings: | 3 |
