Glycoside
GD020464
Name:
NoneFormula:
C18H31O13N5P3Smiles:
CCCCN(CCCC)c1ncnc2c1ncn2C1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)([O-])O)[C@H](O)[C@H]1OAglycone:
CCCCN(CCCC)c1ncnc2c1N=C[N]2.COP(=O)(O)OP(=O)(O)OP(=O)([O-])OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.72 |
| AlogP: | 0.56 | Num_rotatable_bonds: | 15 |
| MolWt: | 618.39 | Num_heavy_atoms: | 39 |
| TPSA: | 259.18 | NumAromaticRings: | 2 |
Unique Aglycone
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 |
AD11347
Formula: C13H20N5
Smiles:
CCCCN(CCCC)c1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.62 |
| AlogP: | 2.79 | Num_rotatable_bonds: | 7 |
| MolWt: | 246.34 | Num_heavy_atoms: | 18 |
| TPSA: | 55.48 | NumAromaticRings: | 1 |
