Glycoside
GD103414
Name:
NoneFormula:
C20H30O6N2BrSmiles:
C[C@@H]1O[C@@H](OCC[NH2+]C2CCN(C(=O)c3ccc(Br)cc3)CC2)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
O=C(c1ccc(Br)cc1)N1CCC([NH2+]CCO)CC1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.65 |
| AlogP: | -0.54 | Num_rotatable_bonds: | 6 |
| MolWt: | 474.37 | Num_heavy_atoms: | 29 |
| TPSA: | 116.07 | NumAromaticRings: | 1 |
Unique Aglycone
AD43774
Formula: C14H20O2N2Br
Smiles:
O=C(c1ccc(Br)cc1)N1CCC([NH2+]CCO)CC1| HBA: | 4 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.5 |
| AlogP: | 0.61 | Num_rotatable_bonds: | 4 |
| MolWt: | 328.23 | Num_heavy_atoms: | 19 |
| TPSA: | 57.15 | NumAromaticRings: | 1 |
