Glycoside
GD004053
Name:
LONGIFOLIOSIDES AFormula:
C23H27O13ClSmiles:
O=C(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]12)c1ccc(O)c(O)c1Aglycone:
O=C(OC1C2C=COC(O)C2C(O)(CO)C1Cl)c1ccc(O)c(O)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.59 |
| AlogP: | -2.11 | Num_rotatable_bonds: | 6 |
| MolWt: | 534.9 | Num_heavy_atoms: | 36 |
| TPSA: | 215.83 | NumAromaticRings: | 1 |
Unique Aglycone
AD03591
Formula: C17H17O8Cl
Smiles:
O=C(OC1C2C=COC(O)C2C(O)(CO)C1Cl)c1ccc(O)c(O)c1| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.44 |
| AlogP: | 0.06 | Num_rotatable_bonds: | 3 |
| MolWt: | 372.76 | Num_heavy_atoms: | 25 |
| TPSA: | 136.68 | NumAromaticRings: | 1 |
