Glycoside
GD034881
Name:
NoneFormula:
C38H62O8Smiles:
C=C(C)[C@@H]1CC[C@]2(COC(C)=O)CC[C@]3(C)[C@H](CC[C@@H]4[C@]5(C)CC[C@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@H]5CC[C@]43C)[C@H]12Aglycone:
C=C(C)C1CCC2(COC(C)=O)CCC3(C)C(CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.92 |
| AlogP: | 5.39 | Num_rotatable_bonds: | 6 |
| MolWt: | 646.91 | Num_heavy_atoms: | 46 |
| TPSA: | 125.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD22117
Formula: C32H52O3
Smiles:
C=C(C)C1CCC2(COC(C)=O)CCC3(C)C(CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C12| HBA: | 3 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.91 |
| AlogP: | 7.57 | Num_rotatable_bonds: | 3 |
| MolWt: | 484.77 | Num_heavy_atoms: | 35 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
