Glycoside
GD129193
Name:
2-methyl-5-(propan-2-ylidene)-2-{[3,4,5-tris(acetyloxy)-6-({[3,4,5-tris(acetyloxy)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}cyclohexyl acetateFormula:
C35H50O18Smiles:
CC(=O)OC1COC(OCC2OC(OC3(C)CCC(=C(C)C)CC3OC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)C(OC(C)=O)C1OC(C)=OAglycone:
CC(=O)OC1CC(=C(C)C)CCC1(C)OSugarmoiety:
CC(=O)OC1COC(OCC2OC(O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.74 |
| AlogP: | 1.9 | Num_rotatable_bonds: | 12 |
| MolWt: | 758.77 | Num_heavy_atoms: | 53 |
| TPSA: | 221.02 | NumAromaticRings: | 0 |
Unique Aglycone
AD52333
Formula: C12H20O3
Smiles:
CC(=O)OC1CC(=C(C)C)CCC1(C)O| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.75 |
| AlogP: | 2.19 | Num_rotatable_bonds: | 1 |
| MolWt: | 212.29 | Num_heavy_atoms: | 15 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
