Glycoside
GD144654
Name:
2-hydroxy-2-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,6-dihydro-2H-pyran-3-oneFormula:
C12H18O9Smiles:
CC1(O)OCC=C(OC2OC(CO)C(O)C(O)C2O)C1=OAglycone:
CC1(O)OCC=C(O)C1=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.75 |
| AlogP: | -3.01 | Num_rotatable_bonds: | 3 |
| MolWt: | 306.27 | Num_heavy_atoms: | 21 |
| TPSA: | 145.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD58115
Formula: C6H8O4
Smiles:
CC1(O)OCC=C(O)C1=O| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | -0.26 | Num_rotatable_bonds: | 0 |
| MolWt: | 144.13 | Num_heavy_atoms: | 10 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
