Glycoside
GD115108
Name:
7-[(acetyloxy)methyl]-6,7-dihydroxy-4-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-1-yl 2-methylbutanoateFormula:
C23H36O13Smiles:
CCC(C)C(=O)OC1OC=C(COC2OC(CO)C(O)C(O)C2O)C2CC(O)C(O)(COC(C)=O)C12Aglycone:
CCC(C)C(=O)OC1OC=C(CO)C2CC(O)C(O)(COC(C)=O)C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.83 |
| AlogP: | -2.08 | Num_rotatable_bonds: | 9 |
| MolWt: | 520.53 | Num_heavy_atoms: | 36 |
| TPSA: | 201.67 | NumAromaticRings: | 0 |
Unique Aglycone
AD44885
Formula: C17H26O8
Smiles:
CCC(C)C(=O)OC1OC=C(CO)C2CC(O)C(O)(COC(C)=O)C12| HBA: | 8 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.76 |
| AlogP: | 0.1 | Num_rotatable_bonds: | 6 |
| MolWt: | 358.39 | Num_heavy_atoms: | 25 |
| TPSA: | 122.52 | NumAromaticRings: | 0 |
