Glycoside
GD019926
Name:
NoneFormula:
C50H72O15NClSmiles:
COC(=O)[C@@]1(C)CC[C@]2(C(=O)NCc3ccccc3Cl)CC[C@]3(C)C(=CC[C@@H]4[C@]5(C)C[C@H](O)[C@H](O[C@@H]6OC[C@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@](C)(CO)[C@H]5CC[C@]43C)[C@H]2C1Aglycone:
COC(=O)C1(C)CCC2(C(=O)NCc3ccccc3Cl)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5CCC43C)C2C1Sugarmoiety:
OCC1OC(OC2COC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 8 |
| HBD: | 9 | FractionCSP3: | 0.8 |
| AlogP: | 2.5 | Num_rotatable_bonds: | 10 |
| MolWt: | 950.56 | Num_heavy_atoms: | 66 |
| TPSA: | 254.16 | NumAromaticRings: | 1 |
Unique Aglycone
AD13834
Formula: C39H54O6NCl
Smiles:
COC(=O)C1(C)CCC2(C(=O)NCc3ccccc3Cl)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5CCC43C)C2C1| HBA: | 7 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.74 |
| AlogP: | 6.22 | Num_rotatable_bonds: | 5 |
| MolWt: | 656.3 | Num_heavy_atoms: | 46 |
| TPSA: | 116.09 | NumAromaticRings: | 1 |
