Glycoside
GD000217
Name:
NoneFormula:
C22H21O4N3Cl2Smiles:
COC1OC(COCc2ccc(Cl)cc2)C(OCc2ccc(Cl)cc2)C1N=[N+]=[N-]Aglycone:
COCc1ccc(Cl)cc1.OCc1ccc(Cl)cc1Sugarmoiety:
COC1OC(O)C(O)C1N=[N+]=[N-]Other Identifiers
Properties
| HBA: | 7 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.4 |
| AlogP: | 5.15 | Num_rotatable_bonds: | 9 |
| MolWt: | 438.31 | Num_heavy_atoms: | 29 |
| TPSA: | 85.68 | NumAromaticRings: | 2 |
Unique Aglycone
AD00252
Formula: C9H9OCl
Smiles:
COCc1ccc(Cl)cc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.25 |
| AlogP: | 2.49 | Num_rotatable_bonds: | 2 |
| MolWt: | 156.61 | Num_heavy_atoms: | 10 |
| TPSA: | 9.23 | NumAromaticRings: | 1 |
AD00253
Formula: C8H7OCl
Smiles:
OCc1ccc(Cl)cc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 1.83 | Num_rotatable_bonds: | 1 |
| MolWt: | 142.59 | Num_heavy_atoms: | 9 |
| TPSA: | 20.23 | NumAromaticRings: | 1 |
