Glycoside
GD115893
Name:
methyl 6-[(6-hydroxy-2,6-dimethylocta-2,7-dienoyl)oxy]-7-methyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-4-carboxylateFormula:
C27H40O12Smiles:
C=CC(C)(O)CCC=C(C)C(=O)OC1CC2C(C(=O)OC)=COC(OC3OC(CO)C(O)C(O)C3O)C2C1CAglycone:
C=CC(C)(O)CCC=C(C)C(=O)OC1CC2C(C(=O)OC)=COC(O)C2C1CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.7 |
| AlogP: | 0.06 | Num_rotatable_bonds: | 10 |
| MolWt: | 556.61 | Num_heavy_atoms: | 39 |
| TPSA: | 181.44 | NumAromaticRings: | 0 |
Unique Aglycone
AD45928
Formula: C21H30O7
Smiles:
C=CC(C)(O)CCC=C(C)C(=O)OC1CC2C(C(=O)OC)=COC(O)C2C1C| HBA: | 7 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.62 |
| AlogP: | 2.24 | Num_rotatable_bonds: | 7 |
| MolWt: | 394.46 | Num_heavy_atoms: | 28 |
| TPSA: | 102.29 | NumAromaticRings: | 0 |
