Glycoside
GD036815
Name:
PurifolinFormula:
C24H24O13Smiles:
COc1cc(O)c2c(=O)c(O[C@@H]3O[C@H](C)[C@H](O)[C@H](O)[C@H]3O)c(-c3ccc(O)c(O)c3)oc2c1OC(C)=OAglycone:
COc1cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc2c1OC(C)=OSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.33 |
| AlogP: | 0.72 | Num_rotatable_bonds: | 5 |
| MolWt: | 520.44 | Num_heavy_atoms: | 37 |
| TPSA: | 205.58 | NumAromaticRings: | 3 |
Unique Aglycone
AD23216
Formula: C18H14O9
Smiles:
COc1cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc2c1OC(C)=O| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.11 |
| AlogP: | 2.22 | Num_rotatable_bonds: | 3 |
| MolWt: | 374.3 | Num_heavy_atoms: | 27 |
| TPSA: | 146.66 | NumAromaticRings: | 3 |
