Glycoside
GD120197
Name:
2-{[2-(dec-8-en-4,6-diyn-1-yloxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C22H32O11Smiles:
CC=CC#CC#CCCCOC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1OAglycone:
CC=CC#CC#CCCCOSugarmoiety:
OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.73 |
| AlogP: | -3.01 | Num_rotatable_bonds: | 8 |
| MolWt: | 472.49 | Num_heavy_atoms: | 33 |
| TPSA: | 178.53 | NumAromaticRings: | 0 |
Unique Aglycone
AD06089
Formula: C10H12O
Smiles:
CC=CC#CC#CCCCO| HBA: | 1 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.4 |
| AlogP: | 1.34 | Num_rotatable_bonds: | 2 |
| MolWt: | 148.2 | Num_heavy_atoms: | 11 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
