Glycoside
GD152396
Name:
ethyl 3-(6-{[3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]oxy}-1-benzofuran-5-yl)propanoateFormula:
C27H32O13Smiles:
CCOC(=O)CCc1cc2ccoc2cc1OC1OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=OAglycone:
CCOC(=O)CCc1cc2ccoc2cc1O.COC(C)=OSugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.52 |
| AlogP: | 2.39 | Num_rotatable_bonds: | 11 |
| MolWt: | 564.54 | Num_heavy_atoms: | 40 |
| TPSA: | 163.1 | 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 |
AD60683
Formula: C13H14O4
Smiles:
CCOC(=O)CCc1cc2ccoc2cc1O| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.31 |
| AlogP: | 2.63 | Num_rotatable_bonds: | 4 |
| MolWt: | 234.25 | Num_heavy_atoms: | 17 |
| TPSA: | 59.67 | NumAromaticRings: | 2 |
