Glycoside
GD036947
Name:
Beta-ChaconineFormula:
C39H63O10NSmiles:
C[C@@H]1CC[C@@H]2[C@H](C)[C@@H]3[C@H](C[C@@H]4[C@@H]5CC=C6C[C@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O[C@@H]7O[C@H](C)[C@H](O)[C@H](O)[C@H]7O)CC[C@@]6(C)[C@H]5CC[C@@]34C)N2C1Aglycone:
CC1CCC2C(C)C3C(CC4C5CC=C6CC(O)CCC6(C)C5CCC43C)N2C1Sugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 8 |
| HBD: | 6 | FractionCSP3: | 0.95 |
| AlogP: | 2.33 | Num_rotatable_bonds: | 5 |
| MolWt: | 705.93 | Num_heavy_atoms: | 50 |
| TPSA: | 161.54 | NumAromaticRings: | 0 |
Unique Aglycone
AD08056
Formula: C27H43ON
Smiles:
CC1CCC2C(C)C3C(CC4C5CC=C6CC(O)CCC6(C)C5CCC43C)N2C1| HBA: | 2 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 0.93 |
| AlogP: | 5.66 | Num_rotatable_bonds: | 0 |
| MolWt: | 397.65 | Num_heavy_atoms: | 29 |
| TPSA: | 23.47 | NumAromaticRings: | 0 |
