Glycoside
GD115596
Name:
methyl 8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}dec-9-en-4,6-diynoateFormula:
C17H22O8Smiles:
C=CC(C#CC#CCCC(=O)OC)OC1OC(CO)C(O)C(O)C1OAglycone:
C=CC(O)C#CC#CCCC(=O)OCSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.59 |
| AlogP: | -1.68 | Num_rotatable_bonds: | 6 |
| MolWt: | 354.35 | Num_heavy_atoms: | 25 |
| TPSA: | 125.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD45755
Formula: C11H12O3
Smiles:
C=CC(O)C#CC#CCCC(=O)OC| HBA: | 3 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.36 |
| AlogP: | 0.49 | Num_rotatable_bonds: | 3 |
| MolWt: | 192.21 | Num_heavy_atoms: | 14 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
