Glycoside
GD033450
Name:
NoneFormula:
C31H34O6NClSmiles:
CO[C@@H]1[C@H](O)[C@H](O)[C@H](Oc2ccc(-c3cccc(Cl)c3)c(C(=O)NCCCc3ccccc3)c2)OC1(C)CAglycone:
O=C(NCCCc1ccccc1)c1cc(O)ccc1-c1cccc(Cl)c1Sugarmoiety:
COC1C(O)C(O)C(O)OC1(C)COther Identifiers
Properties
| HBA: | 7 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.37 |
| AlogP: | 4.62 | Num_rotatable_bonds: | 9 |
| MolWt: | 540.06 | Num_heavy_atoms: | 38 |
| TPSA: | 97.25 | NumAromaticRings: | 3 |
Unique Aglycone
AD21348
Formula: C23H20O2NCl
Smiles:
O=C(NCCCc1ccccc1)c1cc(O)ccc1-c1cccc(Cl)c1| HBA: | 3 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.14 |
| AlogP: | 5.08 | Num_rotatable_bonds: | 6 |
| MolWt: | 365.86 | Num_heavy_atoms: | 26 |
| TPSA: | 49.33 | NumAromaticRings: | 3 |
