Glycoside
GD126440
Name:
[3,4,5-tris(acetyloxy)-6-{[1,3-bis(acetyloxy)-1-[4-(acetyloxy)phenyl]propan-2-yl]oxy}oxan-2-yl]methyl 4-(acetyloxy)benzoateFormula:
C36H40O18Smiles:
CC(=O)OCC(OC1OC(COC(=O)c2ccc(OC(C)=O)cc2)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O)C(OC(C)=O)c1ccc(OC(C)=O)cc1Aglycone:
CC(=O)OCC(O)C(OC(C)=O)c1ccc(OC(C)=O)cc1.COC(=O)c1ccc(OC(C)=O)cc1Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.44 |
| AlogP: | 2.47 | Num_rotatable_bonds: | 15 |
| MolWt: | 760.7 | Num_heavy_atoms: | 54 |
| TPSA: | 228.86 | NumAromaticRings: | 2 |
Unique Aglycone
AD51161
Formula: C15H18O7
Smiles:
CC(=O)OCC(O)C(OC(C)=O)c1ccc(OC(C)=O)cc1| HBA: | 7 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.4 |
| AlogP: | 1.14 | Num_rotatable_bonds: | 6 |
| MolWt: | 310.3 | Num_heavy_atoms: | 22 |
| TPSA: | 99.13 | NumAromaticRings: | 1 |
AD51162
Formula: C10H10O4
Smiles:
COC(=O)c1ccc(OC(C)=O)cc1| HBA: | 4 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.2 |
| AlogP: | 1.4 | Num_rotatable_bonds: | 2 |
| MolWt: | 194.19 | Num_heavy_atoms: | 14 |
| TPSA: | 52.6 | NumAromaticRings: | 1 |
