Glycoside
GD132032
Name:
[2,3,4-tris(acetyloxy)-5-{[3,4,5-tris(acetyloxy)benzoyloxy]methyl}oxolan-3-yl]methyl 3,4,5-tris(acetyloxy)benzoateFormula:
C38H38O23Smiles:
CC(=O)Oc1cc(C(=O)OCC2OC(OC(C)=O)C(COC(=O)c3cc(OC(C)=O)c(OC(C)=O)c(OC(C)=O)c3)(OC(C)=O)C2OC(C)=O)cc(OC(C)=O)c1OC(C)=OAglycone:
COC(=O)c1cc(OC(C)=O)c(OC(C)=O)c(OC(C)=O)c1.COC(=O)c1cc(OC(C)=O)c(OC(C)=O)c(OC(C)=O)c1Sugarmoiety:
CC(=O)OC1OC(O)C(OC(C)=O)C1(O)OC(C)=OOther Identifiers
Properties
| HBA: | 23 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.39 |
| AlogP: | 1.77 | Num_rotatable_bonds: | 15 |
| MolWt: | 862.7 | Num_heavy_atoms: | 61 |
| TPSA: | 298.53 | NumAromaticRings: | 2 |
Unique Aglycone
AD48301
Formula: C14H14O8
Smiles:
COC(=O)c1cc(OC(C)=O)c(OC(C)=O)c(OC(C)=O)c1| HBA: | 8 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.29 |
| AlogP: | 1.25 | Num_rotatable_bonds: | 4 |
| MolWt: | 310.26 | Num_heavy_atoms: | 22 |
| TPSA: | 105.2 | NumAromaticRings: | 1 |
