Glycoside
GD033901
Name:
NoneFormula:
C42H43O12N3F2Cl2Smiles:
COc1cc(C(=O)OC(C)OC(=O)O[C@H]2[C@H]([C@H](O)CO)O[C@@H](O)[C@H]2O)ccc1NC(=O)[C@@H]1N[C@H](CC(C)(C)C)[C@](C#N)(c2ccc(Cl)cc2F)[C@H]1c1cccc(Cl)c1FAglycone:
COc1cc(C(=O)OC(C)OC(=O)O)ccc1NC(=O)C1NC(CC(C)(C)C)C(C#N)(c2ccc(Cl)cc2F)C1c1cccc(Cl)c1FSugarmoiety:
OCC(O)C1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.45 |
| AlogP: | 4.7 | Num_rotatable_bonds: | 12 |
| MolWt: | 866.69 | Num_heavy_atoms: | 59 |
| TPSA: | 226.13 | NumAromaticRings: | 3 |
Unique Aglycone
AD21607
Formula: C36H33O7N3F2Cl2
Smiles:
COc1cc(C(=O)OC(C)OC(=O)O)ccc1NC(=O)C1NC(CC(C)(C)C)C(C#N)(c2ccc(Cl)cc2F)C1c1cccc(Cl)c1F| HBA: | 10 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.35 |
| AlogP: | 7.44 | Num_rotatable_bonds: | 9 |
| MolWt: | 704.55 | Num_heavy_atoms: | 48 |
| TPSA: | 146.98 | NumAromaticRings: | 3 |
