Glycoside
GD118283
Name:
5,6-dihydroxy-1-(2-hydroxy-4-methoxy-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)octan-1-oneFormula:
C21H32O11Smiles:
CCC(O)C(O)CCCC(=O)c1c(O)cc(OC)cc1OC1OC(CO)C(O)C(O)C1OAglycone:
CCC(O)C(O)CCCC(=O)c1c(O)cc(OC)cc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.67 |
| AlogP: | -0.94 | Num_rotatable_bonds: | 11 |
| MolWt: | 460.48 | Num_heavy_atoms: | 32 |
| TPSA: | 186.37 | NumAromaticRings: | 1 |
Unique Aglycone
AD47281
Formula: C15H22O6
Smiles:
CCC(O)C(O)CCCC(=O)c1c(O)cc(OC)cc1O| HBA: | 6 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.53 |
| AlogP: | 1.59 | Num_rotatable_bonds: | 8 |
| MolWt: | 298.33 | Num_heavy_atoms: | 21 |
| TPSA: | 107.22 | NumAromaticRings: | 1 |
