Glycoside
GD131604
Name:
methyl 3,4,5-tris(acetyloxy)-6-({4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.0²,â¶]dodecan-8-yl}methoxy)oxane-2-carboxylateFormula:
C25H36O15Smiles:
COC(=O)C1OC(OCC2OC3OC(C)(C)OC3C3OC(C)(C)OC23)C(OC(C)=O)C(OC(C)=O)C1OC(C)=OAglycone:
CC1(C)OC2OC(CO)C3OC(C)(C)OC3C2O1Sugarmoiety:
COC(=O)C1OC(O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.84 |
| AlogP: | 0.09 | Num_rotatable_bonds: | 7 |
| MolWt: | 576.55 | Num_heavy_atoms: | 40 |
| TPSA: | 169.81 | NumAromaticRings: | 0 |
Unique Aglycone
AD40416
Formula: C12H20O6
Smiles:
CC1(C)OC2OC(CO)C3OC(C)(C)OC3C2O1| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 0.38 | Num_rotatable_bonds: | 1 |
| MolWt: | 260.29 | Num_heavy_atoms: | 18 |
| TPSA: | 66.38 | NumAromaticRings: | 0 |
