Glycoside
GD029091
Name:
ApiinFormula:
C26H28O14Smiles:
O=c1cc(-c2ccc(O)cc2)oc2cc(OC3OC(CO)C(O)C(O)[C@H]3O[C@@H]3OC[C@](O)(CO)C3O)cc(O)c12Aglycone:
O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12Sugarmoiety:
OCC1OC(O)C(OC2OCC(O)(CO)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.42 |
| AlogP: | -1.49 | Num_rotatable_bonds: | 7 |
| MolWt: | 564.5 | Num_heavy_atoms: | 40 |
| TPSA: | 228.97 | NumAromaticRings: | 3 |
Unique Aglycone
AD00529
Formula: C15H10O5
Smiles:
O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12| HBA: | 5 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 2.58 | Num_rotatable_bonds: | 1 |
| MolWt: | 270.24 | Num_heavy_atoms: | 20 |
| TPSA: | 90.9 | NumAromaticRings: | 3 |
