Glycoside
GD151038
Name:
[3,4,5-tris(acetyloxy)-6-{[3,4-bis(acetyloxy)-2,5-bis[(acetyloxy)methyl]oxolan-2-yl]oxy}oxan-2-yl]methyl 3-[4-(acetyloxy)-3,5-dimethoxyphenyl]prop-2-enoateFormula:
C39H48O23Smiles:
COc1cc(C=CC(=O)OCC2OC(OC3(COC(C)=O)OC(COC(C)=O)C(OC(C)=O)C3OC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)cc(OC)c1OC(C)=OAglycone:
COC(=O)C=Cc1cc(OC)c(OC(C)=O)c(OC)c1.COC(C)=O.COC(C)=OSugarmoiety:
CC(=O)OC1C(O)OC(OC2(O)OC(O)C(OC(C)=O)C2OC(C)=O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 23 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.56 |
| AlogP: | 0.81 | Num_rotatable_bonds: | 18 |
| MolWt: | 884.79 | Num_heavy_atoms: | 62 |
| TPSA: | 282.85 | NumAromaticRings: | 1 |
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 |
AD60279
Formula: C14H16O6
Smiles:
COC(=O)C=Cc1cc(OC)c(OC(C)=O)c(OC)c1| HBA: | 6 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.29 |
| AlogP: | 1.82 | Num_rotatable_bonds: | 5 |
| MolWt: | 280.28 | Num_heavy_atoms: | 20 |
| TPSA: | 71.06 | NumAromaticRings: | 1 |
