Glycoside
GD018534
Name:
NoneFormula:
C30H36O22N15P4Br3Smiles:
Nc1ncnc2c1nc(Br)n2[C@@H]1O[C@H](COP(=O)(O)O[C@@H]2[C@H](O)[C@H](COP(=O)(O)O[C@@H]3[C@H](O)[C@H](COP(=O)(O)OP(=O)(O)O)O[C@H]3n3c(Br)nc4c(N)ncnc43)O[C@H]2n2c(Br)nc3c(N)ncnc32)[C@H](O)[C@H]1OAglycone:
COP(=O)(O)O.COP(=O)(O)O.COP(=O)(O)OP(=O)(O)O.Nc1ncnc2c1N=C(Br)[N]2.Nc1ncnc2c1N=C(Br)[N]2.Nc1ncnc2c1N=C(Br)[N]2Sugarmoiety:
OC1OC(O)C(O)C1O.OC1OC(O)C(O)C1O.OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 37 | RingCount: | 9 |
| HBD: | 15 | FractionCSP3: | 0.5 |
| AlogP: | -1.09 | Num_rotatable_bonds: | 18 |
| MolWt: | 1322.31 | Num_heavy_atoms: | 74 |
| TPSA: | 542.28 | NumAromaticRings: | 6 |
Unique Aglycone
AD00079
Formula: CH5O4P
Smiles:
COP(=O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.27 | Num_rotatable_bonds: | 1 |
| MolWt: | 112.02 | Num_heavy_atoms: | 6 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
AD00305
Formula: CH6O7P2
Smiles:
COP(=O)(O)OP(=O)(O)O| HBA: | 7 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -0.16 | Num_rotatable_bonds: | 3 |
| MolWt: | 192.0 | Num_heavy_atoms: | 10 |
| TPSA: | 113.29 | NumAromaticRings: | 0 |
AD00486
Formula: C5H3N5Br
Smiles:
Nc1ncnc2c1N=C(Br)[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.69 | Num_rotatable_bonds: | 0 |
| MolWt: | 213.02 | Num_heavy_atoms: | 11 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
