Glycoside
GD116549
Name:
Aurantoside EFormula:
C40H48O15N2Cl2Smiles:
COC1C(OC2COC(OC3C(O)C(O)COC3N3C(=O)C(=C(O)C=CC=CC=CC=CC=C(Cl)C=CC=C(C)Cl)C(=O)C3CC(=N)O)C(O)C2O)OC(C)C1OAglycone:
CC(Cl)=CC=CC(Cl)=CC=CC=CC=CC=CC(O)=C1C(=O)NC(CC(=N)O)C1=OSugarmoiety:
COC1C(OC2COC(OC3C(O)OCC(O)C3O)C(O)C2O)OC(C)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.5 |
| AlogP: | 1.6 | Num_rotatable_bonds: | 15 |
| MolWt: | 843.71 | Num_heavy_atoms: | 57 |
| TPSA: | 258.22 | NumAromaticRings: | 0 |
Unique Aglycone
AD46299
Formula: C24H22O4N2Cl2
Smiles:
CC(Cl)=CC=CC(Cl)=CC=CC=CC=CC=CC(O)=C1C(=O)NC(CC(=N)O)C1=O| HBA: | 6 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.14 |
| AlogP: | 4.84 | Num_rotatable_bonds: | 9 |
| MolWt: | 449.33 | Num_heavy_atoms: | 30 |
| TPSA: | 110.48 | NumAromaticRings: | 0 |
