Glycoside
GD011956
Name:
NoneFormula:
C18H30O14N6P3Smiles:
CC(=O)NCCCCCCNc1ncnc2c1ncn2C1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)([O-])O)[C@H](O)[C@H]1OAglycone:
CC(=O)NCCCCCCNc1ncnc2c1N=C[N]2.COP(=O)(O)OP(=O)(O)OP(=O)([O-])OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.67 |
| AlogP: | -0.73 | Num_rotatable_bonds: | 16 |
| MolWt: | 647.39 | Num_heavy_atoms: | 41 |
| TPSA: | 297.07 | NumAromaticRings: | 2 |
Unique Aglycone
AD09053
Formula: C13H19ON6
Smiles:
CC(=O)NCCCCCCNc1ncnc2c1N=C[N]2| HBA: | 7 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.54 |
| AlogP: | 1.49 | Num_rotatable_bonds: | 8 |
| MolWt: | 275.34 | Num_heavy_atoms: | 20 |
| TPSA: | 93.37 | NumAromaticRings: | 1 |
AD09054
Formula: CH6O10P3
Smiles:
COP(=O)(O)OP(=O)(O)OP(=O)([O-])O| HBA: | 10 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -0.67 | Num_rotatable_bonds: | 5 |
| MolWt: | 270.97 | Num_heavy_atoms: | 14 |
| TPSA: | 162.65 | NumAromaticRings: | 0 |
