Glycoside
GD138011
Name:
Eupatolitin 3-ApiosideFormula:
C22H22O12Smiles:
COc1cc2oc(-c3ccc(O)c(O)c3)c(OC3OCC(O)(CO)C3O)c(=O)c2c(O)c1OCAglycone:
COc1cc2oc(-c3ccc(O)c(O)c3)c(O)c(=O)c2c(O)c1OCSugarmoiety:
OCC1(O)COC(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.32 |
| AlogP: | 0.41 | Num_rotatable_bonds: | 6 |
| MolWt: | 478.41 | Num_heavy_atoms: | 34 |
| TPSA: | 188.51 | NumAromaticRings: | 3 |
Unique Aglycone
AD19857
Formula: C17H14O8
Smiles:
COc1cc2oc(-c3ccc(O)c(O)c3)c(O)c(=O)c2c(O)c1OC| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.12 |
| AlogP: | 2.3 | Num_rotatable_bonds: | 3 |
| MolWt: | 346.29 | Num_heavy_atoms: | 25 |
| TPSA: | 129.59 | NumAromaticRings: | 3 |
