Glycoside
GD028165
Name:
NoneFormula:
C16H15O5N6BrSmiles:
O=c1ccn([C@@H]2O[C@H](Cn3cc(-c4cccc(Br)n4)nn3)[C@H](O)[C@H]2O)c(=O)[nH]1Aglycone:
Cn1cc(-c2cccc(Br)n2)nn1.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.31 |
| AlogP: | -0.73 | Num_rotatable_bonds: | 4 |
| MolWt: | 451.24 | Num_heavy_atoms: | 28 |
| TPSA: | 148.15 | NumAromaticRings: | 3 |
Unique Aglycone
AD00106
Formula: C4H4O2N2
Smiles:
O=c1cc[nH]c(=O)[nH]1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.94 | Num_rotatable_bonds: | 0 |
| MolWt: | 112.09 | Num_heavy_atoms: | 8 |
| TPSA: | 65.72 | NumAromaticRings: | 1 |
AD18437
Formula: C8H7N4Br
Smiles:
Cn1cc(-c2cccc(Br)n2)nn1| HBA: | 4 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.12 |
| AlogP: | 1.64 | Num_rotatable_bonds: | 1 |
| MolWt: | 239.08 | Num_heavy_atoms: | 13 |
| TPSA: | 43.6 | NumAromaticRings: | 2 |
