Glycoside
GD121492
Name:
1-[4-(methoxycarbonyl)-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,7aH-cyclopenta[c]pyran-7-yl]methyl 4-methyl butanedioateFormula:
C22H30O13Smiles:
COC(=O)CCC(=O)OCC1=CCC2C(C(=O)OC)=COC(OC3OC(CO)C(O)C(O)C3O)C12Aglycone:
COC(=O)CCC(=O)OCC1=CCC2C(C(=O)OC)=COC(O)C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.68 |
| AlogP: | -1.72 | Num_rotatable_bonds: | 9 |
| MolWt: | 502.47 | Num_heavy_atoms: | 35 |
| TPSA: | 187.51 | NumAromaticRings: | 0 |
Unique Aglycone
AD48911
Formula: C16H20O8
Smiles:
COC(=O)CCC(=O)OCC1=CCC2C(C(=O)OC)=COC(O)C12| HBA: | 8 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.56 |
| AlogP: | 0.45 | Num_rotatable_bonds: | 6 |
| MolWt: | 340.33 | Num_heavy_atoms: | 24 |
| TPSA: | 108.36 | NumAromaticRings: | 0 |
