Glycoside
GD130525
Name:
2-{[2-(deca-2,8-dien-4,6-diyn-1-yloxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C22H30O11Smiles:
CC=CC#CC#CC=CCOC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1OAglycone:
CC=CC#CC#CC=CCOSugarmoiety:
OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.64 |
| AlogP: | -3.23 | Num_rotatable_bonds: | 7 |
| MolWt: | 470.47 | Num_heavy_atoms: | 33 |
| TPSA: | 178.53 | NumAromaticRings: | 0 |
Unique Aglycone
AD52894
Formula: C10H10O
Smiles:
CC=CC#CC#CC=CCO| HBA: | 1 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.2 |
| AlogP: | 1.12 | Num_rotatable_bonds: | 1 |
| MolWt: | 146.19 | Num_heavy_atoms: | 11 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
