Glycoside
GD007665
Name:
NoneFormula:
C36H52O13Smiles:
O=C(c1ccccc1)c1ccc(COCCCCCCCCCCO[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)cc1Aglycone:
O=C(c1ccccc1)c1ccc(COCCCCCCCCCCO)cc1Sugarmoiety:
OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.64 |
| AlogP: | 1.2 | Num_rotatable_bonds: | 20 |
| MolWt: | 692.8 | Num_heavy_atoms: | 49 |
| TPSA: | 204.83 | NumAromaticRings: | 2 |
Unique Aglycone
AD06214
Formula: C24H32O3
Smiles:
O=C(c1ccccc1)c1ccc(COCCCCCCCCCCO)cc1| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.46 |
| AlogP: | 5.55 | Num_rotatable_bonds: | 14 |
| MolWt: | 368.52 | Num_heavy_atoms: | 27 |
| TPSA: | 46.53 | NumAromaticRings: | 2 |
