Glycoside
GD035984
Name:
NoneFormula:
C25H36O18N7P3Smiles:
CCC1C(O)NC(=O)C2=CN([C@@H]3O[C@H](COP(=O)(O)O[C@@H]4[C@H](COP(=O)(O)OP(=O)(O)O)O[C@H](n5cnc6c(N)ncnc65)[C@H]4O)[C@H](O)[C@H]3O)C=C[C@H]21Aglycone:
CCC1C(O)NC(=O)C2=CNC=CC21.COP(=O)(O)O.COP(=O)(O)OP(=O)(O)O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1O.OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 25 | RingCount: | 6 |
| HBD: | 11 | FractionCSP3: | 0.6 |
| AlogP: | -2.35 | Num_rotatable_bonds: | 13 |
| MolWt: | 815.52 | Num_heavy_atoms: | 53 |
| TPSA: | 370.39 | NumAromaticRings: | 2 |
Unique Aglycone
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 |
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 |
AD22742
Formula: C10H14O2N2
Smiles:
CCC1C(O)NC(=O)C2=CNC=CC21| HBA: | 4 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.5 |
| AlogP: | 0.08 | Num_rotatable_bonds: | 1 |
| MolWt: | 194.23 | Num_heavy_atoms: | 14 |
| TPSA: | 61.36 | NumAromaticRings: | 0 |
