Glycoside
GD025580
Name:
NoneFormula:
C40H58O15Smiles:
CCCCCCCOc1ccc(C(=O)OC[C@@H]2O[C@H](O[C@@H]3O[C@H](COC(=O)c4ccc(OCCCCCCC)cc4)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H](O)[C@H]2O)cc1Aglycone:
CCCCCCCOc1ccc(C(=O)OC)cc1.CCCCCCCOc1ccc(C(=O)OC)cc1Sugarmoiety:
OC1OC(OC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.65 |
| AlogP: | 3.03 | Num_rotatable_bonds: | 22 |
| MolWt: | 778.89 | Num_heavy_atoms: | 55 |
| TPSA: | 220.13 | NumAromaticRings: | 2 |
Unique Aglycone
AD16942
Formula: C15H22O3
Smiles:
CCCCCCCOc1ccc(C(=O)OC)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.53 |
| AlogP: | 3.82 | Num_rotatable_bonds: | 8 |
| MolWt: | 250.34 | Num_heavy_atoms: | 18 |
| TPSA: | 35.53 | NumAromaticRings: | 1 |
