Glycoside
GD158304
Name:
10-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}deca-4,6-diynoic acidFormula:
C22H32O13Smiles:
O=C(O)CCC#CC#CCCCOC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1OAglycone:
O=C(O)CCC#CC#CCCCOSugarmoiety:
OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 2 |
| HBD: | 8 | FractionCSP3: | 0.77 |
| AlogP: | -3.72 | Num_rotatable_bonds: | 10 |
| MolWt: | 504.49 | Num_heavy_atoms: | 35 |
| TPSA: | 215.83 | NumAromaticRings: | 0 |
Unique Aglycone
AD45948
Formula: C10H12O3
Smiles:
O=C(O)CCC#CC#CCCCO| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | 0.63 | Num_rotatable_bonds: | 4 |
| MolWt: | 180.2 | Num_heavy_atoms: | 13 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
