Glycoside
GD033269
Name:
CATALPOSIDEFormula:
C22H26O12Smiles:
O=C(O[C@H]1[C@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H]2[C@]2(CO)O[C@@H]12)c1ccc(O)cc1Aglycone:
O=C(OC1C2C=COC(O)C2C2(CO)OC12)c1ccc(O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.59 |
| AlogP: | -2.02 | Num_rotatable_bonds: | 6 |
| MolWt: | 482.44 | Num_heavy_atoms: | 34 |
| TPSA: | 187.9 | NumAromaticRings: | 1 |
Unique Aglycone
AD21250
Formula: C16H16O7
Smiles:
O=C(OC1C2C=COC(O)C2C2(CO)OC12)c1ccc(O)cc1| HBA: | 7 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.44 |
| AlogP: | 0.16 | Num_rotatable_bonds: | 3 |
| MolWt: | 320.3 | Num_heavy_atoms: | 23 |
| TPSA: | 108.75 | NumAromaticRings: | 1 |
