Glycoside
GD030705
Name:
EupatolinFormula:
C23H24O12Smiles:
COc1cc2oc(-c3ccc(O)c(O)c3)c(O[C@@H]3O[C@H](C)[C@H](O)[C@H](O)[C@H]3O)c(=O)c2c(O)c1OCAglycone:
COc1cc2oc(-c3ccc(O)c(O)c3)c(O)c(=O)c2c(O)c1OCSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.35 |
| AlogP: | 0.8 | Num_rotatable_bonds: | 5 |
| MolWt: | 492.43 | Num_heavy_atoms: | 35 |
| 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 |
