Glycoside
GD153403
Name:
[3,4,5-tris(acetyloxy)-6-{[6-hydroxy-6-methyl-3-(propan-2-yl)cyclohex-2-en-1-yl]oxy}oxan-2-yl]methyl acetateFormula:
C24H36O11Smiles:
CC(=O)OCC1OC(OC2C=C(C(C)C)CCC2(C)O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=OAglycone:
CC(C)C1=CC(O)C(C)(O)CC1.COC(C)=OSugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.75 |
| AlogP: | 1.58 | Num_rotatable_bonds: | 8 |
| MolWt: | 500.54 | Num_heavy_atoms: | 35 |
| TPSA: | 143.89 | NumAromaticRings: | 0 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD50639
Formula: C10H18O2
Smiles:
CC(C)C1=CC(O)C(C)(O)CC1| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.8 |
| AlogP: | 1.47 | Num_rotatable_bonds: | 1 |
| MolWt: | 170.25 | Num_heavy_atoms: | 12 |
| TPSA: | 40.46 | NumAromaticRings: | 0 |
