Glycoside
GD018589
Name:
NoneFormula:
C27H31O18N6P3Smiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC[C@@H]2O[C@H]([n+]3ccc(-c4ccccc4)c(C(=O)[O-])c3)[C@H](O)[C@H]2O)[C@H](O)[C@H]1OP(=O)(O)OAglycone:
COP(=O)(O)OP(=O)(O)OC.Nc1ncnc2c1N=C[N]2.O=C([O-])c1c[nH+]ccc1-c1ccccc1.O=P(O)(O)OSugarmoiety:
OC1OC(O)C(O)C1O.OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 24 | RingCount: | 6 |
| HBD: | 9 | FractionCSP3: | 0.37 |
| AlogP: | -1.97 | Num_rotatable_bonds: | 14 |
| MolWt: | 820.49 | Num_heavy_atoms: | 54 |
| TPSA: | 361.83 | NumAromaticRings: | 4 |
Unique Aglycone
AD00019
Formula: H3O4P
Smiles:
O=P(O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.93 | Num_rotatable_bonds: | 0 |
| MolWt: | 97.99 | Num_heavy_atoms: | 5 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
AD00050
Formula: C2H8O7P2
Smiles:
COP(=O)(O)OP(=O)(O)OC| HBA: | 7 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 0.5 | Num_rotatable_bonds: | 4 |
| MolWt: | 206.03 | Num_heavy_atoms: | 11 |
| TPSA: | 102.29 | NumAromaticRings: | 0 |
AD00058
Formula: C5H4N5
Smiles:
Nc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.12 | Num_heavy_atoms: | 10 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD13088
Formula: C12H9O2N
Smiles:
O=C([O-])c1c[nH+]ccc1-c1ccccc1| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 0.53 | Num_rotatable_bonds: | 2 |
| MolWt: | 199.21 | Num_heavy_atoms: | 15 |
| TPSA: | 54.27 | NumAromaticRings: | 2 |
