Glycoside
GD031141
Name:
5-(acetyloxy)-4-hydroxy-2-methyl-6-{[2-(4-methylcyclohex-3-en-1-yl)propan-2-yl]oxy}oxan-3-yl 2-methylbutanoateFormula:
C23H38O7Smiles:
CC[C@H](C)C(=O)O[C@H]1[C@H](C)O[C@@H](OC(C)(C)[C@@H]2CC=C(C)CC2)[C@@H](OC(C)=O)[C@H]1OAglycone:
CC1=CCC(C(C)(C)O)CC1.CCC(C)C(=O)OSugarmoiety:
CC(=O)OC1C(O)OC(C)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.83 |
| AlogP: | 3.52 | Num_rotatable_bonds: | 7 |
| MolWt: | 426.55 | Num_heavy_atoms: | 30 |
| TPSA: | 91.29 | NumAromaticRings: | 0 |
Unique Aglycone
AD00363
Formula: C5H10O2
Smiles:
CCC(C)C(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.8 |
| AlogP: | 1.12 | Num_rotatable_bonds: | 2 |
| MolWt: | 102.13 | 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 |
