Glycoside
GD006438
Name:
NoneFormula:
C55H82O16NF3Smiles:
C[C@H]1[C@H](C)CC[C@]2(C(=O)Nc3ccc(OC(F)(F)F)cc3)CC[C@@]3(C)C(=CC[C@@H]4[C@]5(C)CC[C@H](O[C@@H]6O[C@H](CO)[C@H](O[C@@H]7O[C@H](C)[C@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@H](C)[C@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@H]5CC[C@]43C)[C@@H]12Aglycone:
CC1CCC2(C(=O)Nc3ccc(OC(F)(F)F)cc3)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1CSugarmoiety:
CC1OC(OC2C(O)OC(CO)C(OC3OC(C)C(O)C(O)C3O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 9 |
| HBD: | 9 | FractionCSP3: | 0.84 |
| AlogP: | 5.07 | Num_rotatable_bonds: | 10 |
| MolWt: | 1070.25 | Num_heavy_atoms: | 75 |
| TPSA: | 255.55 | NumAromaticRings: | 1 |
Unique Aglycone
AD05335
Formula: C37H52O3NF3
Smiles:
CC1CCC2(C(=O)Nc3ccc(OC(F)(F)F)cc3)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1C| HBA: | 4 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.76 |
| AlogP: | 9.54 | Num_rotatable_bonds: | 3 |
| MolWt: | 615.82 | Num_heavy_atoms: | 44 |
| TPSA: | 58.56 | NumAromaticRings: | 1 |
