Glycoside
GD018665
Name:
NoneFormula:
C40H58O17Smiles:
CCCCCCCOc1ccc(C(=O)OC[C@@H]2O[C@H](O[C@@H]3O[C@H](COC(=O)c4ccc(OCCCCCCC)cc4O)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H](O)[C@H]2O)c(O)c1Aglycone:
CCCCCCCOc1ccc(C(=O)OC)c(O)c1.CCCCCCCOc1ccc(C(=O)OC)c(O)c1Sugarmoiety:
OC1OC(OC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.65 |
| AlogP: | 2.44 | Num_rotatable_bonds: | 22 |
| MolWt: | 810.89 | Num_heavy_atoms: | 57 |
| TPSA: | 260.59 | NumAromaticRings: | 2 |
Unique Aglycone
AD13130
Formula: C15H22O4
Smiles:
CCCCCCCOc1ccc(C(=O)OC)c(O)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.53 |
| AlogP: | 3.53 | Num_rotatable_bonds: | 8 |
| MolWt: | 266.34 | Num_heavy_atoms: | 19 |
| TPSA: | 55.76 | NumAromaticRings: | 1 |
