Glycoside
GD023922
Name:
NoneFormula:
C36H35O12N2FCl2SSmiles:
CC(C)(C)NC(=O)c1ccc(Oc2cc(F)c(CC(=O)O[C@@H]3O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]3O)cc2Cl)c(NS(=O)(=O)c2ccc(C3CC3)cc2Cl)c1Aglycone:
CC(C)(C)NC(=O)c1ccc(Oc2cc(F)c(CC(=O)O)cc2Cl)c(NS(=O)(=O)c2ccc(C3CC3)cc2Cl)c1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.38 |
| AlogP: | 4.11 | Num_rotatable_bonds: | 11 |
| MolWt: | 785.63 | Num_heavy_atoms: | 52 |
| TPSA: | 218.02 | NumAromaticRings: | 3 |
Unique Aglycone
AD16039
Formula: C30H27O6N2FCl2S
Smiles:
CC(C)(C)NC(=O)c1ccc(Oc2cc(F)c(CC(=O)O)cc2Cl)c(NS(=O)(=O)c2ccc(C3CC3)cc2Cl)c1| HBA: | 8 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.29 |
| AlogP: | 6.76 | Num_rotatable_bonds: | 9 |
| MolWt: | 609.5 | Num_heavy_atoms: | 40 |
| TPSA: | 121.8 | NumAromaticRings: | 3 |
