Glycoside
GD158015
Name:
[3,4,5-tris(acetyloxy)-6-({6-hydroxy-2-methyl-3,9-dioxatricyclo[4.4.0.0²,â´]dec-7-en-10-yl}oxy)oxan-2-yl]methyl acetateFormula:
C23H30O13Smiles:
CC(=O)OCC1OC(OC2OC=CC3(O)CC4OC4(C)C23)C(OC(C)=O)C(OC(C)=O)C1OC(C)=OAglycone:
CC12OC1CC1(O)C=COC(O)C12.COC(C)=OSugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.74 |
| AlogP: | -0.14 | Num_rotatable_bonds: | 7 |
| MolWt: | 514.48 | Num_heavy_atoms: | 36 |
| TPSA: | 165.65 | NumAromaticRings: | 0 |
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 |
AD48638
Formula: C9H12O4
Smiles:
CC12OC1CC1(O)C=COC(O)C12| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.78 |
| AlogP: | -0.24 | Num_rotatable_bonds: | 0 |
| MolWt: | 184.19 | Num_heavy_atoms: | 13 |
| TPSA: | 62.22 | NumAromaticRings: | 0 |
