Glycoside
GD011337
Name:
NoneFormula:
C15H21O12N5P3Br2Smiles:
CCN(CC)c1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])C(Br)(Br)P(=O)([O-])O)[C@H](O)[C@H]1OAglycone:
CCN(CC)c1ncnc2c1N=C[N]2.COP(=O)([O-])OP(=O)([O-])C(Br)(Br)P(=O)([O-])OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.67 |
| AlogP: | -0.71 | Num_rotatable_bonds: | 11 |
| MolWt: | 716.09 | Num_heavy_atoms: | 37 |
| TPSA: | 255.61 | 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 |
AD08676
Formula: C2H4O9P3Br2
Smiles:
COP(=O)([O-])OP(=O)([O-])C(Br)(Br)P(=O)([O-])O| HBA: | 9 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | -0.38 | Num_rotatable_bonds: | 5 |
| MolWt: | 424.77 | Num_heavy_atoms: | 16 |
| TPSA: | 159.08 | NumAromaticRings: | 0 |
