Glycoside
GD150161
Name:
5-(8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}octa-2,4,6-triyn-1-yl)oxolan-2-oneFormula:
C18H20O8Smiles:
O=C1CCC(CC#CC#CC#CCOC2OC(CO)C(O)C(O)C2O)O1Aglycone:
O=C1CCC(CC#CC#CC#CCO)O1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.61 |
| AlogP: | -2.09 | Num_rotatable_bonds: | 4 |
| MolWt: | 364.35 | Num_heavy_atoms: | 26 |
| TPSA: | 125.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD60000
Formula: C12H10O3
Smiles:
O=C1CCC(CC#CC#CC#CCO)O1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.42 |
| AlogP: | 0.08 | Num_rotatable_bonds: | 1 |
| MolWt: | 202.21 | Num_heavy_atoms: | 15 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
