Glycoside
GD100203
Name:
NoneFormula:
C17H16O7N5BrSmiles:
O=C(Nc1[nH]c(=O)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)Oc1ccc(Br)cc1Aglycone:
O=C(Nc1[nH]c(=O)nc2c1N=C[N]2)Oc1ccc(Br)cc1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.29 |
| AlogP: | 0.1 | Num_rotatable_bonds: | 4 |
| MolWt: | 482.25 | Num_heavy_atoms: | 30 |
| TPSA: | 171.82 | NumAromaticRings: | 3 |
Unique Aglycone
AD42345
Formula: C12H7O3N5Br
Smiles:
O=C(Nc1[nH]c(=O)nc2c1N=C[N]2)Oc1ccc(Br)cc1| HBA: | 8 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 2.05 | Num_rotatable_bonds: | 2 |
| MolWt: | 349.12 | Num_heavy_atoms: | 21 |
| TPSA: | 110.54 | NumAromaticRings: | 2 |
