Glycoside
GD036301
Name:
NoneFormula:
C34H46O17Smiles:
CCOc1cc(OCC)cc(C(=O)OC[C@@H]2O[C@H](O[C@@H]3O[C@H](COC(=O)c4cc(OCC)cc(OCC)c4)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H](O)[C@H]2O)c1Aglycone:
CCOc1cc(OCC)cc(C(=O)OC)c1.CCOc1cc(OCC)cc(C(=O)OC)c1Sugarmoiety:
OC1OC(OC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.59 |
| AlogP: | -0.07 | Num_rotatable_bonds: | 16 |
| MolWt: | 726.73 | Num_heavy_atoms: | 51 |
| TPSA: | 238.59 | NumAromaticRings: | 2 |
Unique Aglycone
AD22911
Formula: C12H16O4
Smiles:
CCOc1cc(OCC)cc(C(=O)OC)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.42 |
| AlogP: | 2.27 | Num_rotatable_bonds: | 5 |
| MolWt: | 224.26 | Num_heavy_atoms: | 16 |
| TPSA: | 44.76 | NumAromaticRings: | 1 |
