Glycoside
GD004553
Name:
NoneFormula:
C21H23O8NCl2Smiles:
C=C(CC)C(=O)c1ccc(OCC(=O)N[C@H]2[C@H](O)[C@@H](O)[C@@H](CO)O[C@H]2O)c(Cl)c1ClAglycone:
C=C(CC)C(=O)c1ccc(OCC(N)=O)c(Cl)c1ClSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.47 |
| AlogP: | 0.44 | Num_rotatable_bonds: | 8 |
| MolWt: | 464.3 | Num_heavy_atoms: | 30 |
| TPSA: | 145.55 | NumAromaticRings: | 1 |
Unique Aglycone
AD03958
Formula: C15H13O3NCl2
Smiles:
C=C(CC)C(=O)c1ccc(OCC(N)=O)c(Cl)c1Cl| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.23 |
| AlogP: | 3.01 | Num_rotatable_bonds: | 6 |
| MolWt: | 302.16 | Num_heavy_atoms: | 19 |
| TPSA: | 69.39 | NumAromaticRings: | 1 |
