Glycoside
GD128225
Name:
[3,4,5-tris(acetyloxy)-6-(4-{4-[4-(acetyloxy)-3-methoxyphenyl]-hexahydrofuro[3,4-c]furan-1-yl}-2-methoxyphenoxy)oxan-2-yl]methyl acetateFormula:
C36H42O16Smiles:
COc1cc(C2OCC3C(c4ccc(OC5OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C5OC(C)=O)c(OC)c4)OCC23)ccc1OC(C)=OAglycone:
COC(C)=O.COc1cc(C2OCC3C(c4ccc(OC(C)=O)c(OC)c4)OCC23)ccc1OSugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 0 | FractionCSP3: | 0.53 |
| AlogP: | 3.17 | Num_rotatable_bonds: | 12 |
| MolWt: | 730.72 | Num_heavy_atoms: | 52 |
| TPSA: | 186.88 | 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 |
AD51944
Formula: C22H24O7
Smiles:
COc1cc(C2OCC3C(c4ccc(OC(C)=O)c(OC)c4)OCC23)ccc1O| HBA: | 7 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.41 |
| AlogP: | 3.41 | Num_rotatable_bonds: | 5 |
| MolWt: | 400.43 | Num_heavy_atoms: | 29 |
| TPSA: | 83.45 | NumAromaticRings: | 2 |
