Glycoside
GD120109
Name:
2-({[3,5-dihydroxy-6-methyl-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}methyl)-6-[(1,7-dihydroxytetradeca-4,12-dien-8,10-diyn-6-yl)oxy]oxane-3,4,5-triolFormula:
C33H50O17Smiles:
CC=CC#CC#CC(O)C(C=CCCCO)OC1OC(COC2OC(C)(COC3OC(CO)C(O)C(O)C3O)C(O)CC2O)C(O)C(O)C1OAglycone:
CC=CC#CC#CC(O)C(O)C=CCCCOSugarmoiety:
CC1(COC2OC(CO)C(O)C(O)C2O)OC(OCC2OC(O)C(O)C(O)C2O)C(O)CC1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 3 |
| HBD: | 11 | FractionCSP3: | 0.76 |
| AlogP: | -4.49 | Num_rotatable_bonds: | 14 |
| MolWt: | 718.75 | Num_heavy_atoms: | 50 |
| TPSA: | 277.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD48211
Formula: C14H18O3
Smiles:
CC=CC#CC#CC(O)C(O)C=CCCCO| HBA: | 3 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.43 |
| AlogP: | 0.62 | Num_rotatable_bonds: | 5 |
| MolWt: | 234.29 | Num_heavy_atoms: | 17 |
| TPSA: | 60.69 | NumAromaticRings: | 0 |
