Glycoside
GD094997
Name:
NoneFormula:
C17H20O7N3BrSmiles:
O=C(C(=O)N1CCO[C@H](c2ncn3c(Br)cccc23)C1)[C@H](O)[C@@H](O)[C@H](O)COAglycone:
Brc1cccc2c(C3CNCCO3)ncn12Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.47 |
| AlogP: | -1.36 | Num_rotatable_bonds: | 6 |
| MolWt: | 458.27 | Num_heavy_atoms: | 28 |
| TPSA: | 144.83 | NumAromaticRings: | 2 |
Unique Aglycone
AD40587
Formula: C11H12ON3Br
Smiles:
Brc1cccc2c(C3CNCCO3)ncn12| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.36 |
| AlogP: | 1.76 | Num_rotatable_bonds: | 1 |
| MolWt: | 282.14 | Num_heavy_atoms: | 16 |
| TPSA: | 38.56 | NumAromaticRings: | 2 |
