Glycoside
GD120281
Name:
[3,4-bis(acetyloxy)-2-[4-(acetyloxy)benzoyloxy]-5-{[3,4,5-tris(acetyloxy)benzoyloxy]methyl}oxolan-3-yl]methyl 3,4,5-tris(acetyloxy)benzoateFormula:
C45H42O25Smiles:
CC(=O)Oc1ccc(C(=O)OC2OC(COC(=O)c3cc(OC(C)=O)c(OC(C)=O)c(OC(C)=O)c3)C(OC(C)=O)C2(COC(=O)c2cc(OC(C)=O)c(OC(C)=O)c(OC(C)=O)c2)OC(C)=O)cc1Aglycone:
CC(=O)Oc1ccc(C(=O)O)cc1.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)OC1C(O)OC(O)C1(O)OC(C)=OOther Identifiers
Properties
| HBA: | 25 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.33 |
| AlogP: | 2.99 | Num_rotatable_bonds: | 17 |
| MolWt: | 982.81 | Num_heavy_atoms: | 70 |
| TPSA: | 324.83 | NumAromaticRings: | 3 |
Unique Aglycone
AD48300
Formula: C9H8O4
Smiles:
CC(=O)Oc1ccc(C(=O)O)cc1| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.11 |
| AlogP: | 1.31 | Num_rotatable_bonds: | 2 |
| MolWt: | 180.16 | Num_heavy_atoms: | 13 |
| TPSA: | 63.6 | NumAromaticRings: | 1 |
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 |
