Glycoside
GD030979
Name:
IsorhapontinFormula:
C21H24O9Smiles:
COc1cc(C=Cc2cc(O)cc(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)c2)ccc1OAglycone:
COc1cc(C=Cc2cc(O)cc(O)c2)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.33 |
| AlogP: | 0.46 | Num_rotatable_bonds: | 6 |
| MolWt: | 420.41 | Num_heavy_atoms: | 30 |
| TPSA: | 149.07 | NumAromaticRings: | 2 |
Unique Aglycone
AD00718
Formula: C15H14O4
Smiles:
COc1cc(C=Cc2cc(O)cc(O)c2)ccc1O| HBA: | 4 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.07 |
| AlogP: | 2.98 | Num_rotatable_bonds: | 3 |
| MolWt: | 258.27 | Num_heavy_atoms: | 19 |
| TPSA: | 69.92 | NumAromaticRings: | 2 |
