Glycoside
GD073354
Name:
NoneFormula:
C12H13O6N4BrSmiles:
O=C(Nc1nc(Br)cn2ccnc12)C(=O)[C@H](O)[C@@H](O)[C@@H](O)COAglycone:
Nc1nc(Br)cn2ccnc12Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.33 |
| AlogP: | -1.93 | Num_rotatable_bonds: | 6 |
| MolWt: | 389.16 | Num_heavy_atoms: | 23 |
| TPSA: | 157.28 | NumAromaticRings: | 2 |
Unique Aglycone
AD34022
Formula: C6H5N4Br
Smiles:
Nc1nc(Br)cn2ccnc12| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.07 | Num_rotatable_bonds: | 0 |
| MolWt: | 213.04 | Num_heavy_atoms: | 11 |
| TPSA: | 56.21 | NumAromaticRings: | 2 |
