Glycoside
GD155924
Name:
2-methyl-10-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl}-3,9-dioxatricyclo[4.4.0.0²,â´]dec-7-ene-7-carboxylic acidFormula:
C17H24O9Smiles:
CC12OC1CC1C(C(=O)O)=COC(CC3OC(CO)C(O)C(O)C3O)C12Aglycone:
CC1OC=C(C(=O)O)C2CC3OC3(C)C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.82 |
| AlogP: | -1.62 | Num_rotatable_bonds: | 4 |
| MolWt: | 372.37 | Num_heavy_atoms: | 26 |
| TPSA: | 149.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD61792
Formula: C11H14O4
Smiles:
CC1OC=C(C(=O)O)C2CC3OC3(C)C12| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.73 |
| AlogP: | 1.17 | Num_rotatable_bonds: | 1 |
| MolWt: | 210.23 | Num_heavy_atoms: | 15 |
| TPSA: | 59.06 | NumAromaticRings: | 0 |
