Glycoside
GD144794
Name:
3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl 4-(2-hydroxypropan-2-yl)cyclohex-1-ene-1-carboxylateFormula:
C24H34O12Smiles:
CC(=O)OCC1OC(OC(=O)C2=CCC(C(C)(C)O)CC2)C(OC(C)=O)C(OC(C)=O)C1OC(C)=OAglycone:
CC(C)(O)C1CC=C(C(=O)O)CC1.COC(C)=OSugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.71 |
| AlogP: | 1.11 | Num_rotatable_bonds: | 8 |
| MolWt: | 514.52 | Num_heavy_atoms: | 36 |
| TPSA: | 160.96 | 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 |
AD17498
Formula: C10H16O3
Smiles:
CC(C)(O)C1CC=C(C(=O)O)CC1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.7 |
| AlogP: | 1.57 | Num_rotatable_bonds: | 2 |
| MolWt: | 184.23 | Num_heavy_atoms: | 13 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
