Glycoside
GD141342
Name:
3,4-dihydroxy-6-[(7-methyl-3-methylideneoct-6-en-1-yl)oxy]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-2-carboxylic acidFormula:
C22H36O12Smiles:
C=C(CCC=C(C)C)CCOC1OC(C(=O)O)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1OAglycone:
C=C(CCO)CCC=C(C)CSugarmoiety:
O=C(O)C1OC(O)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.77 |
| AlogP: | -1.59 | Num_rotatable_bonds: | 11 |
| MolWt: | 492.52 | Num_heavy_atoms: | 34 |
| TPSA: | 195.6 | NumAromaticRings: | 0 |
Unique Aglycone
AD56948
Formula: C10H18O
Smiles:
C=C(CCO)CCC=C(C)C| HBA: | 1 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.6 |
| AlogP: | 2.67 | Num_rotatable_bonds: | 5 |
| MolWt: | 154.25 | Num_heavy_atoms: | 11 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
