Glycoside
GD015226
Name:
POLIOTHYRSINFormula:
C20H24O11Smiles:
O=C1CCC=CC1(O)C(=O)OCc1cc(O)ccc1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OAglycone:
O=C1CCC=CC1(O)C(=O)OCc1cc(O)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.5 |
| AlogP: | -1.74 | Num_rotatable_bonds: | 6 |
| MolWt: | 440.4 | Num_heavy_atoms: | 31 |
| TPSA: | 183.21 | NumAromaticRings: | 1 |
Unique Aglycone
AD11076
Formula: C14H14O6
Smiles:
O=C1CCC=CC1(O)C(=O)OCc1cc(O)ccc1O| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.29 |
| AlogP: | 0.79 | Num_rotatable_bonds: | 3 |
| MolWt: | 278.26 | Num_heavy_atoms: | 20 |
| TPSA: | 104.06 | NumAromaticRings: | 1 |
