Glycoside
GD014064
Name:
NoneFormula:
C25H27O6N4ClSmiles:
COc1cc(CNC[C@@H]2O[C@H](n3ccc(N)nc3=O)[C@H](O)[C@H]2O)ccc1OCc1cccc(Cl)c1Aglycone:
CNCc1ccc(OCc2cccc(Cl)c2)c(OC)c1.Nc1cc[nH]c(=O)n1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.33 |
| AlogP: | 1.48 | Num_rotatable_bonds: | 9 |
| MolWt: | 502.96 | Num_heavy_atoms: | 35 |
| TPSA: | 141.09 | NumAromaticRings: | 3 |
Unique Aglycone
AD00115
Formula: C4H5ON3
Smiles:
Nc1cc[nH]c(=O)n1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.65 | Num_rotatable_bonds: | 0 |
| MolWt: | 111.1 | Num_heavy_atoms: | 8 |
| TPSA: | 71.77 | NumAromaticRings: | 1 |
AD09254
Formula: C17H18O2NCl
Smiles:
CNCc1ccc(OCc2cccc(Cl)c2)c(OC)c1| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 3.65 | Num_rotatable_bonds: | 6 |
| MolWt: | 291.78 | Num_heavy_atoms: | 20 |
| TPSA: | 30.49 | NumAromaticRings: | 2 |
