Glycoside
GD018663
Name:
NoneFormula:
C62H102O17Smiles:
CCCCCCCCCCCCCCCCCCOc1ccc(C(=O)OC[C@@H]2O[C@H](O[C@@H]3O[C@H](COC(=O)c4ccc(OCCCCCCCCCCCCCCCCCC)cc4O)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H](O)[C@H]2O)c(O)c1Aglycone:
CCCCCCCCCCCCCCCCCCOc1ccc(C(=O)OC)c(O)c1.CCCCCCCCCCCCCCCCCCOc1ccc(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: | 0.77 |
| AlogP: | 11.02 | Num_rotatable_bonds: | 44 |
| MolWt: | 1119.48 | Num_heavy_atoms: | 79 |
| TPSA: | 260.59 | NumAromaticRings: | 2 |
Unique Aglycone
AD13129
Formula: C26H44O4
Smiles:
CCCCCCCCCCCCCCCCCCOc1ccc(C(=O)OC)c(O)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.73 |
| AlogP: | 7.82 | Num_rotatable_bonds: | 19 |
| MolWt: | 420.63 | Num_heavy_atoms: | 30 |
| TPSA: | 55.76 | NumAromaticRings: | 1 |
