Glycoside
GD091099
Name:
NoneFormula:
C18H25O6N2BrSmiles:
O=C(N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O)C1CCN(c2cccc(Br)c2)CC1Aglycone:
NC(=O)C1CCN(c2cccc(Br)c2)CC1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.61 |
| AlogP: | -0.42 | Num_rotatable_bonds: | 4 |
| MolWt: | 445.31 | Num_heavy_atoms: | 27 |
| TPSA: | 122.49 | NumAromaticRings: | 1 |
Unique Aglycone
AD39704
Formula: C12H15ON2Br
Smiles:
NC(=O)C1CCN(c2cccc(Br)c2)CC1| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.42 |
| AlogP: | 2.15 | Num_rotatable_bonds: | 2 |
| MolWt: | 283.17 | Num_heavy_atoms: | 16 |
| TPSA: | 46.33 | NumAromaticRings: | 1 |
