Glycoside
GD021772
Name:
NoneFormula:
C22H20O4N8Br2Smiles:
OCC(O)C(O)C(O)C(C=NNc1ncnc2ccc(Br)cc12)=NNc1ncnc2ccc(Br)cc12Aglycone:
Brc1ccc2ncnc(NN=CC=NNc3ncnc4ccc(Br)cc34)c2c1Sugarmoiety:
OCC(O)C(O)C(O)OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.18 |
| AlogP: | 2.04 | Num_rotatable_bonds: | 9 |
| MolWt: | 620.26 | Num_heavy_atoms: | 36 |
| TPSA: | 181.26 | NumAromaticRings: | 4 |
Unique Aglycone
AD14830
Formula: C18H12N8Br2
Smiles:
Brc1ccc2ncnc(NN=CC=NNc3ncnc4ccc(Br)cc34)c2c1| HBA: | 8 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 4.59 | Num_rotatable_bonds: | 5 |
| MolWt: | 500.16 | Num_heavy_atoms: | 28 |
| TPSA: | 100.34 | NumAromaticRings: | 4 |
