Glycoside
GD111658
Name:
NoneFormula:
C36H52O12Smiles:
CO[C@@H]1[C@@H](OC(C)=O)[C@H](C)O[C@H](O[C@@H]2CC[C@@]3(C)[C@H]4[C@H](OC(C)=O)C[C@]5(C)[C@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@@H]3C2)[C@@H]1OC(C)=OAglycone:
CC(=O)OC1CC2(C)C(C3=CC(=O)OC3)CCC2(O)C2CCC3CC(O)CCC3(C)C12Sugarmoiety:
COC1C(OC(C)=O)C(C)OC(O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 0.83 |
| AlogP: | 3.79 | Num_rotatable_bonds: | 7 |
| MolWt: | 676.8 | Num_heavy_atoms: | 48 |
| TPSA: | 153.12 | NumAromaticRings: | 0 |
Unique Aglycone
AD44732
Formula: C25H36O6
Smiles:
CC(=O)OC1CC2(C)C(C3=CC(=O)OC3)CCC2(O)C2CCC3CC(O)CCC3(C)C12| HBA: | 6 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.84 |
| AlogP: | 3.15 | Num_rotatable_bonds: | 2 |
| MolWt: | 432.56 | Num_heavy_atoms: | 31 |
| TPSA: | 93.06 | NumAromaticRings: | 0 |
