Glycoside
GD154094
Name:
NoneFormula:
C19H22O11N2Cl2Smiles:
O=C(O)C1OC(OCC(N=C(O)C(Cl)Cl)C(O)c2ccc([NH+]([O-])O)cc2)C(O)C(O)C1OAglycone:
[O-][NH+](O)c1ccc(C(O)C(CO)N=C(O)C(Cl)Cl)cc1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 2 |
| HBD: | 8 | FractionCSP3: | 0.53 |
| AlogP: | -1.84 | Num_rotatable_bonds: | 9 |
| MolWt: | 501.27 | Num_heavy_atoms: | 32 |
| TPSA: | 217.0 | NumAromaticRings: | 1 |
Unique Aglycone
AD61245
Formula: C13H14O5N2Cl2
Smiles:
[O-][NH+](O)c1ccc(C(O)C(CO)N=C(O)C(Cl)Cl)cc1| HBA: | 7 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.36 |
| AlogP: | 0.24 | Num_rotatable_bonds: | 6 |
| MolWt: | 325.15 | Num_heavy_atoms: | 20 |
| TPSA: | 120.78 | NumAromaticRings: | 1 |
