Glycoside
GD097929
Name:
NoneFormula:
C18H19O6N4BrSmiles:
O=C(Nc1nccc(N2CCc3ccc(Br)cc32)n1)C(=O)[C@H](O)[C@@H](O)[C@@H](O)COAglycone:
Nc1nccc(N2CCc3ccc(Br)cc32)n1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.33 |
| AlogP: | -0.48 | Num_rotatable_bonds: | 7 |
| MolWt: | 467.28 | Num_heavy_atoms: | 29 |
| TPSA: | 156.11 | NumAromaticRings: | 2 |
Unique Aglycone
AD41652
Formula: C12H11N4Br
Smiles:
Nc1nccc(N2CCc3ccc(Br)cc32)n1| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.17 |
| AlogP: | 2.52 | Num_rotatable_bonds: | 1 |
| MolWt: | 291.15 | Num_heavy_atoms: | 17 |
| TPSA: | 55.04 | NumAromaticRings: | 2 |
