Glycoside
GD114378
Name:
2-(hydroxymethyl)-6-[(1-hydroxytridec-5-en-7,9,11-triyn-2-yl)oxy]oxane-3,4,5-triolFormula:
C19H24O7Smiles:
CC#CC#CC#CC=CCCC(CO)OC1OC(CO)C(O)C(O)C1OAglycone:
CC#CC#CC#CC=CCCC(O)COSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.58 |
| AlogP: | -1.47 | Num_rotatable_bonds: | 7 |
| MolWt: | 364.39 | Num_heavy_atoms: | 26 |
| TPSA: | 119.61 | NumAromaticRings: | 0 |
Unique Aglycone
AD45020
Formula: C13H14O2
Smiles:
CC#CC#CC#CC=CCCC(O)CO| HBA: | 2 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.38 |
| AlogP: | 0.71 | Num_rotatable_bonds: | 4 |
| MolWt: | 202.25 | Num_heavy_atoms: | 15 |
| TPSA: | 40.46 | NumAromaticRings: | 0 |
