Glycoside
GD037405
Name:
NoneFormula:
C55H84O15NFSmiles:
C[C@@H]1O[C@H](O[C@H]2[C@H](CO)O[C@@H](O[C@@H]3CC[C@]4(C)[C@H](CC[C@]5(C)[C@H]4CC=C4[C@@H]6CC(C)(C)CC[C@@]6(C(=O)NCc6ccccc6F)CC[C@]45C)C3(C)C)[C@@H](O[C@@H]3O[C@H](C)[C@H](O)[C@H](O)[C@H]3O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1OAglycone:
CC1(C)CCC2(C(=O)NCc3ccccc3F)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1Sugarmoiety:
CC1OC(OC2C(O)OC(CO)C(OC3OC(C)C(O)C(O)C3O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 9 |
| HBD: | 9 | FractionCSP3: | 0.84 |
| AlogP: | 4.13 | Num_rotatable_bonds: | 10 |
| MolWt: | 1018.27 | Num_heavy_atoms: | 72 |
| TPSA: | 246.32 | NumAromaticRings: | 1 |
Unique Aglycone
AD23568
Formula: C37H54O2NF
Smiles:
CC1(C)CCC2(C(=O)NCc3ccccc3F)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1| HBA: | 3 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.76 |
| AlogP: | 8.6 | Num_rotatable_bonds: | 3 |
| MolWt: | 563.84 | Num_heavy_atoms: | 41 |
| TPSA: | 49.33 | NumAromaticRings: | 1 |
