Glycoside
GD029445
Name:
LONGIFOLIOSIDE BFormula:
C25H29O13ClSmiles:
O=C(C=Cc1ccc(O)c(O)c1)O[C@H]1[C@H](Cl)[C@@](O)(CO)[C@@H]2[C@@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)OC=C[C@@H]12Aglycone:
O=C(C=Cc1ccc(O)c(O)c1)OC1C2C=COC(O)C2C(O)(CO)C1ClSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.54 |
| AlogP: | -1.71 | Num_rotatable_bonds: | 7 |
| MolWt: | 560.94 | Num_heavy_atoms: | 38 |
| TPSA: | 215.83 | NumAromaticRings: | 1 |
Unique Aglycone
AD19152
Formula: C19H19O8Cl
Smiles:
O=C(C=Cc1ccc(O)c(O)c1)OC1C2C=COC(O)C2C(O)(CO)C1Cl| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.39 |
| AlogP: | 0.46 | Num_rotatable_bonds: | 4 |
| MolWt: | 398.8 | Num_heavy_atoms: | 27 |
| TPSA: | 136.68 | NumAromaticRings: | 1 |
