Glycoside
GD116657
Name:
[3,4,5-tris(acetyloxy)-6-(4-{4-[4-(acetyloxy)-3,5-dimethoxyphenyl]-hexahydrofuro[3,4-c]furan-1-yl}-2,6-dimethoxyphenoxy)oxan-2-yl]methyl acetateFormula:
C38H46O18Smiles:
COc1cc(C2OCC3C(c4cc(OC)c(OC5OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C5OC(C)=O)c(OC)c4)OCC23)cc(OC)c1OC(C)=OAglycone:
COC(C)=O.COc1cc(C2OCC3C(c4cc(OC)c(OC(C)=O)c(OC)c4)OCC23)cc(OC)c1OSugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 5 |
| HBD: | 0 | FractionCSP3: | 0.55 |
| AlogP: | 3.18 | Num_rotatable_bonds: | 14 |
| MolWt: | 790.77 | Num_heavy_atoms: | 56 |
| TPSA: | 205.34 | NumAromaticRings: | 2 |
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 |
AD46370
Formula: C24H28O9
Smiles:
COc1cc(C2OCC3C(c4cc(OC)c(OC(C)=O)c(OC)c4)OCC23)cc(OC)c1O| HBA: | 9 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.46 |
| AlogP: | 3.43 | Num_rotatable_bonds: | 7 |
| MolWt: | 460.48 | Num_heavy_atoms: | 33 |
| TPSA: | 101.91 | NumAromaticRings: | 2 |
