Glycoside
GD121219
Name:
2-methyl-10-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,9-dioxatricyclo[4.4.0.0²,â´]dec-7-ene-7-carboxylic acidFormula:
C16H22O10Smiles:
CC12OC1CC1C(C(=O)O)=COC(OC3OC(CO)C(O)C(O)C3O)C12Aglycone:
CC12OC1CC1C(C(=O)O)=COC(O)C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.81 |
| AlogP: | -2.08 | Num_rotatable_bonds: | 4 |
| MolWt: | 374.34 | Num_heavy_atoms: | 26 |
| TPSA: | 158.44 | NumAromaticRings: | 0 |
Unique Aglycone
AD48769
Formula: C10H12O5
Smiles:
CC12OC1CC1C(C(=O)O)=COC(O)C12| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.7 |
| AlogP: | 0.1 | Num_rotatable_bonds: | 1 |
| MolWt: | 212.2 | Num_heavy_atoms: | 15 |
| TPSA: | 79.29 | NumAromaticRings: | 0 |
