Glycoside
GD031722
Name:
NoneFormula:
C24H25O5N4ClSmiles:
COc1ccccc1Cc1cc(-c2ccc(Cl)cc2)n[nH]c1=NN=CC(O)C(O)C(O)COAglycone:
C=NN=c1[nH]nc(-c2ccc(Cl)cc2)cc1Cc1ccccc1OCSugarmoiety:
OCC(O)C(O)C(O)OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.26 |
| AlogP: | 1.29 | Num_rotatable_bonds: | 9 |
| MolWt: | 472.93 | Num_heavy_atoms: | 33 |
| TPSA: | 143.55 | NumAromaticRings: | 3 |
Unique Aglycone
AD20417
Formula: C20H17ON4Cl
Smiles:
C=NN=c1[nH]nc(-c2ccc(Cl)cc2)cc1Cc1ccccc1OC| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.11 |
| AlogP: | 3.85 | Num_rotatable_bonds: | 5 |
| MolWt: | 352.83 | Num_heavy_atoms: | 25 |
| TPSA: | 62.63 | NumAromaticRings: | 3 |
