Glycoside
GD120335
Name:
[3,4,5-tris(acetyloxy)-6-{4-[3-(acetyloxy)prop-1-en-1-yl]-2-methoxyphenoxy}oxan-2-yl]methyl acetateFormula:
C26H32O13Smiles:
COc1cc(C=CCOC(C)=O)ccc1OC1OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=OAglycone:
COC(C)=O.COc1cc(C=CCOC(C)=O)ccc1OSugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.5 |
| AlogP: | 1.73 | Num_rotatable_bonds: | 11 |
| MolWt: | 552.53 | Num_heavy_atoms: | 39 |
| TPSA: | 159.19 | 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 |
AD48331
Formula: C12H14O4
Smiles:
COc1cc(C=CCOC(C)=O)ccc1O| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 1.98 | Num_rotatable_bonds: | 4 |
| MolWt: | 222.24 | Num_heavy_atoms: | 16 |
| TPSA: | 55.76 | NumAromaticRings: | 1 |
