Glycoside
GD142324
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-methoxybenzoateFormula:
C33H38O17Smiles:
COc1cccc(C(=O)OC2C3C=COC(OC4OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C4OC(C)=O)C3C3(COC(C)=O)OC23)c1Aglycone:
COC(C)=O.COc1cccc(C(=O)OC2C3C=COC(O)C3C3(COC(C)=O)OC23)c1Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 5 |
| HBD: | 0 | FractionCSP3: | 0.58 |
| AlogP: | 1.14 | Num_rotatable_bonds: | 12 |
| MolWt: | 706.65 | Num_heavy_atoms: | 50 |
| TPSA: | 207.25 | 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 |
AD57280
Formula: C19H20O8
Smiles:
COc1cccc(C(=O)OC2C3C=COC(O)C3C3(COC(C)=O)OC23)c1| HBA: | 8 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.47 |
| AlogP: | 1.03 | Num_rotatable_bonds: | 5 |
| MolWt: | 376.36 | Num_heavy_atoms: | 27 |
| TPSA: | 103.82 | NumAromaticRings: | 1 |
