Glycoside
GD013167
Name:
NoneFormula:
C15H24O13N5P3Br2Smiles:
CCN(CC)c1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC(Br)(Br)P(=O)(O)O)[C@H](O)[C@H]1OAglycone:
CCN(CC)c1ncnc2c1N=C[N]2.COP(=O)(O)OP(=O)(O)OC(Br)(Br)P(=O)(O)OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.67 |
| AlogP: | 1.12 | Num_rotatable_bonds: | 12 |
| MolWt: | 735.11 | Num_heavy_atoms: | 38 |
| TPSA: | 256.35 | NumAromaticRings: | 2 |
Unique Aglycone
AD05308
Formula: C9H12N5
Smiles:
CCN(CC)c1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.44 |
| AlogP: | 1.23 | Num_rotatable_bonds: | 3 |
| MolWt: | 190.23 | Num_heavy_atoms: | 14 |
| TPSA: | 55.48 | NumAromaticRings: | 1 |
AD09862
Formula: C2H7O10P3Br2
Smiles:
COP(=O)(O)OP(=O)(O)OC(Br)(Br)P(=O)(O)O| HBA: | 10 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | 1.45 | Num_rotatable_bonds: | 6 |
| MolWt: | 443.8 | Num_heavy_atoms: | 17 |
| TPSA: | 159.82 | NumAromaticRings: | 0 |
