Glycoside
GD084940
Name:
NoneFormula:
C17H26O5N2BrSmiles:
OC[C@H]1O[C@@H](O)[C@H]([NH2+]C2CCN(c3ccc(Br)cc3)CC2)[C@@H](O)[C@@H]1OAglycone:
[NH3+]C1CCN(c2ccc(Br)cc2)CC1Sugarmoiety:
OCC1OC(O)C([OH2+])C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.65 |
| AlogP: | -1.22 | Num_rotatable_bonds: | 4 |
| MolWt: | 418.31 | Num_heavy_atoms: | 25 |
| TPSA: | 110.0 | NumAromaticRings: | 1 |
Unique Aglycone
AD38012
Formula: C11H16N2Br
Smiles:
[NH3+]C1CCN(c2ccc(Br)cc2)CC1| HBA: | 2 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.45 |
| AlogP: | 1.66 | Num_rotatable_bonds: | 1 |
| MolWt: | 256.17 | Num_heavy_atoms: | 14 |
| TPSA: | 30.88 | NumAromaticRings: | 1 |
