Glycoside
GD031626
Name:
PurifolininFormula:
C22H22O12Smiles:
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)oc2c1OAglycone:
COc1cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc2c1OSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.32 |
| AlogP: | 0.5 | Num_rotatable_bonds: | 4 |
| MolWt: | 478.41 | Num_heavy_atoms: | 34 |
| TPSA: | 199.51 | NumAromaticRings: | 3 |
Unique Aglycone
AD20358
Formula: C16H12O8
Smiles:
COc1cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc2c1O| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.06 |
| AlogP: | 2.0 | Num_rotatable_bonds: | 2 |
| MolWt: | 332.26 | Num_heavy_atoms: | 24 |
| TPSA: | 140.59 | NumAromaticRings: | 3 |
