Glycoside
GD108967
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 3,4-dimethoxybenzoateFormula:
C34H40O18Smiles:
COc1ccc(C(=O)O[C@@H]2[C@@H]3O[C@]3(COC(C)=O)[C@H]3[C@H](O[C@@H]4O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]4OC(C)=O)OC=C[C@@H]23)cc1OCAglycone:
COC(C)=O.COc1ccc(C(=O)OC2C3C=COC(O)C3C3(COC(C)=O)OC23)cc1OCSugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 5 |
| HBD: | 0 | FractionCSP3: | 0.59 |
| AlogP: | 1.15 | Num_rotatable_bonds: | 13 |
| MolWt: | 736.68 | Num_heavy_atoms: | 52 |
| TPSA: | 216.48 | 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 |
AD44500
Formula: C20H22O9
Smiles:
COc1ccc(C(=O)OC2C3C=COC(O)C3C3(COC(C)=O)OC23)cc1OC| HBA: | 9 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | 1.04 | Num_rotatable_bonds: | 6 |
| MolWt: | 406.39 | Num_heavy_atoms: | 29 |
| TPSA: | 113.05 | NumAromaticRings: | 1 |
