Glycoside
GD069736
Name:
NoneFormula:
C18H26O5N2ClSmiles:
OC[C@H]1O[C@H](O)[C@H]([NH2+]C2CCN(c3ccccc3Cl)CC2)[C@@H](O)[C@@H]1OAglycone:
[NH3+]C1CCN(c2ccccc2Cl)CC1Sugarmoiety:
OCC1OC(O)C([OH2+])C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.65 |
| AlogP: | -1.33 | Num_rotatable_bonds: | 4 |
| MolWt: | 373.86 | Num_heavy_atoms: | 25 |
| TPSA: | 110.0 | NumAromaticRings: | 1 |
Unique Aglycone
AD33060
Formula: C12H16N2Cl
Smiles:
[NH3+]C1CCN(c2ccccc2Cl)CC1| HBA: | 2 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.45 |
| AlogP: | 1.55 | Num_rotatable_bonds: | 1 |
| MolWt: | 211.72 | Num_heavy_atoms: | 14 |
| TPSA: | 30.88 | NumAromaticRings: | 1 |
