Glycoside
GD131956
Name:
2-[(acetyloxy)methyl]-10-{[3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]oxy}-3,9-dioxatricyclo[4.4.0.0²,â´]dec-7-en-5-yl 4-(acetyloxy)-3-methoxybenzoateFormula:
C35H40O19Smiles:
COc1cc(C(=O)OC2C3C=COC(OC4OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C4OC(C)=O)C3C3(COC(C)=O)OC23)ccc1OC(C)=OAglycone:
COC(C)=O.COc1cc(C(=O)OC2C3C=COC(O)C3C3(COC(C)=O)OC23)ccc1OC(C)=OSugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 5 |
| HBD: | 0 | FractionCSP3: | 0.57 |
| AlogP: | 1.06 | Num_rotatable_bonds: | 13 |
| MolWt: | 764.69 | Num_heavy_atoms: | 54 |
| TPSA: | 233.55 | 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 |
AD53429
Formula: C21H22O10
Smiles:
COc1cc(C(=O)OC2C3C=COC(O)C3C3(COC(C)=O)OC23)ccc1OC(C)=O| HBA: | 10 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.48 |
| AlogP: | 0.95 | Num_rotatable_bonds: | 6 |
| MolWt: | 434.4 | Num_heavy_atoms: | 31 |
| TPSA: | 130.12 | NumAromaticRings: | 1 |
