Glycoside
GD000782
Name:
DIHYDROGENISTINFormula:
C21H22O10Smiles:
O=C1c2c(O)cc(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)cc2OCC1c1ccc(O)cc1Aglycone:
O=C1c2c(O)cc(O)cc2OCC1c1ccc(O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.38 |
| AlogP: | -0.36 | Num_rotatable_bonds: | 4 |
| MolWt: | 434.4 | Num_heavy_atoms: | 31 |
| TPSA: | 166.14 | NumAromaticRings: | 2 |
Unique Aglycone
AD00827
Formula: C15H12O5
Smiles:
O=C1c2c(O)cc(O)cc2OCC1c1ccc(O)cc1| HBA: | 5 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.13 |
| AlogP: | 2.16 | Num_rotatable_bonds: | 1 |
| MolWt: | 272.26 | Num_heavy_atoms: | 20 |
| TPSA: | 86.99 | NumAromaticRings: | 2 |
