Glycoside
GD131096
Name:
4-hydroxy-5-(8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}octa-2,4,6-triyn-1-yl)oxolan-2-oneFormula:
C18H20O9Smiles:
O=C1CC(O)C(CC#CC#CC#CCOC2OC(CO)C(O)C(O)C2O)O1Aglycone:
O=C1CC(O)C(CC#CC#CC#CCO)O1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.61 |
| AlogP: | -3.12 | Num_rotatable_bonds: | 4 |
| MolWt: | 380.35 | Num_heavy_atoms: | 27 |
| TPSA: | 145.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD53119
Formula: C12H10O4
Smiles:
O=C1CC(O)C(CC#CC#CC#CCO)O1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.42 |
| AlogP: | -0.94 | Num_rotatable_bonds: | 1 |
| MolWt: | 218.21 | Num_heavy_atoms: | 16 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
