Glycoside
GD137358
Name:
CitrifolinosideFormula:
C28H30O15Smiles:
COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2OC)C2C1C1OC1C21C=C(C(=O)c2ccc(OC)c(O)c2)C(=O)O1Aglycone:
COC(=O)C1=COC(O)C2C1C1OC1C21C=C(C(=O)c2ccc(OC)c(O)c2)C(=O)O1Sugarmoiety:
COC1C(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.54 |
| AlogP: | -1.3 | Num_rotatable_bonds: | 8 |
| MolWt: | 606.53 | Num_heavy_atoms: | 43 |
| TPSA: | 209.27 | NumAromaticRings: | 1 |
Unique Aglycone
AD55496
Formula: C21H18O10
Smiles:
COC(=O)C1=COC(O)C2C1C1OC1C21C=C(C(=O)c2ccc(OC)c(O)c2)C(=O)O1| HBA: | 10 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.38 |
| AlogP: | 0.22 | Num_rotatable_bonds: | 4 |
| MolWt: | 430.37 | Num_heavy_atoms: | 31 |
| TPSA: | 141.12 | NumAromaticRings: | 1 |
