Glycoside
GD031846
Name:
3-(acetyloxy)-5-hydroxy-6-methyl-2-{[2-(4-methylcyclohex-3-en-1-yl)propan-2-yl]oxy}oxan-4-yl 3-methylbut-2-enoateFormula:
C23H36O7Smiles:
CC(=O)O[C@@H]1[C@H](OC(C)(C)[C@@H]2CC=C(C)CC2)O[C@H](C)[C@H](O)[C@H]1OC(=O)C=C(C)CAglycone:
CC(C)=CC(=O)O.CC1=CCC(C(C)(C)O)CC1Sugarmoiety:
CC(=O)OC1C(O)OC(C)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.74 |
| AlogP: | 3.44 | Num_rotatable_bonds: | 6 |
| MolWt: | 424.53 | Num_heavy_atoms: | 30 |
| TPSA: | 91.29 | NumAromaticRings: | 0 |
Unique Aglycone
AD00258
Formula: C5H8O2
Smiles:
CC(C)=CC(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.4 |
| AlogP: | 1.04 | Num_rotatable_bonds: | 1 |
| MolWt: | 100.12 | Num_heavy_atoms: | 7 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
AD02252
Formula: C10H18O
Smiles:
CC1=CCC(C(C)(C)O)CC1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.8 |
| AlogP: | 2.5 | Num_rotatable_bonds: | 1 |
| MolWt: | 154.25 | Num_heavy_atoms: | 11 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
