Glycoside
GD093843
Name:
NoneFormula:
C18H26O6N3BrSmiles:
CN1CCN(c2cc(Br)ccc2C(=O)N[C@H]2[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)CC1Aglycone:
CN1CCN(c2cc(Br)ccc2C(N)=O)CC1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.61 |
| AlogP: | -1.27 | Num_rotatable_bonds: | 4 |
| MolWt: | 460.33 | Num_heavy_atoms: | 28 |
| TPSA: | 125.73 | NumAromaticRings: | 1 |
Unique Aglycone
AD40457
Formula: C12H16ON3Br
Smiles:
CN1CCN(c2cc(Br)ccc2C(N)=O)CC1| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.42 |
| AlogP: | 1.3 | Num_rotatable_bonds: | 2 |
| MolWt: | 298.18 | Num_heavy_atoms: | 17 |
| TPSA: | 49.57 | NumAromaticRings: | 1 |
