Glycoside
GD018023
Name:
NoneFormula:
C16H19O14N5P3BrSmiles:
O=P(O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]1OC(n2cnc3c(O)nc(Nc4ccc(Br)cc4)nc32)[C@H](O)[C@H]1OAglycone:
COP(=O)(O)OP(=O)(O)OP(=O)(O)O.Oc1nc(Nc2ccc(Br)cc2)nc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.31 |
| AlogP: | 1.0 | Num_rotatable_bonds: | 10 |
| MolWt: | 678.18 | Num_heavy_atoms: | 39 |
| TPSA: | 285.37 | NumAromaticRings: | 3 |
Unique Aglycone
AD00534
Formula: CH7O10P3
Smiles:
COP(=O)(O)OP(=O)(O)OP(=O)(O)O| HBA: | 10 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | -0.04 | Num_rotatable_bonds: | 5 |
| MolWt: | 271.98 | Num_heavy_atoms: | 14 |
| TPSA: | 159.82 | NumAromaticRings: | 0 |
AD12788
Formula: C11H7ON5Br
Smiles:
Oc1nc(Nc2ccc(Br)cc2)nc2c1N=C[N]2| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 2.6 | Num_rotatable_bonds: | 2 |
| MolWt: | 305.12 | Num_heavy_atoms: | 18 |
| TPSA: | 84.5 | NumAromaticRings: | 2 |
