Glycoside
GD020379
Name:
NoneFormula:
C23H29O4N2ClSmiles:
CCCCc1ncc(Cc2cc([C@@H]3O[C@H](CC)[C@H](O)[C@H](O)[C@H]3O)ccc2Cl)cn1Aglycone:
CCCCc1ncc(Cc2ccccc2Cl)cn1Sugarmoiety:
CCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.55 |
| AlogP: | 3.0 | Num_rotatable_bonds: | 7 |
| MolWt: | 420.94 | Num_heavy_atoms: | 29 |
| TPSA: | 95.7 | NumAromaticRings: | 2 |
Unique Aglycone
AD14078
Formula: C16H17N2Cl
Smiles:
CCCCc1ncc(Cc2ccccc2Cl)cn1| HBA: | 2 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.33 |
| AlogP: | 4.06 | Num_rotatable_bonds: | 5 |
| MolWt: | 260.77 | Num_heavy_atoms: | 18 |
| TPSA: | 25.78 | NumAromaticRings: | 2 |
