Glycoside
GD092020
Name:
NoneFormula:
C18H26O6N2BrSmiles:
O=C(c1ccc(Br)cc1)N1CCC([NH2+][C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)CC1Aglycone:
[NH3+]C1CCN(C(=O)c2ccc(Br)cc2)CC1Sugarmoiety:
OCC1OC(O)C([OH2+])C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.61 |
| AlogP: | -1.58 | Num_rotatable_bonds: | 4 |
| MolWt: | 446.32 | Num_heavy_atoms: | 27 |
| TPSA: | 127.07 | NumAromaticRings: | 1 |
Unique Aglycone
AD40163
Formula: C12H16ON2Br
Smiles:
[NH3+]C1CCN(C(=O)c2ccc(Br)cc2)CC1| HBA: | 3 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.42 |
| AlogP: | 1.3 | Num_rotatable_bonds: | 1 |
| MolWt: | 284.18 | Num_heavy_atoms: | 16 |
| TPSA: | 47.95 | NumAromaticRings: | 1 |
