Glycoside
GD004635
Name:
NoneFormula:
C27H33O8N5PClSmiles:
CCCCCC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP2(=O)OCCC(c3cccc(Cl)c3)O2)[C@H](O)[C@]1(C)OAglycone:
CCCCCC(=O)Nc1ncnc2c1N=C[N]2.COP1(=O)OCCC(c2cccc(Cl)c2)O1Sugarmoiety:
CC1(O)C(O)OC(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.54 |
| AlogP: | 4.31 | Num_rotatable_bonds: | 10 |
| MolWt: | 610.0 | Num_heavy_atoms: | 41 |
| TPSA: | 167.15 | NumAromaticRings: | 3 |
Unique Aglycone
AD04022
Formula: C11H14ON5
Smiles:
CCCCCC(=O)Nc1ncnc2c1N=C[N]2| HBA: | 6 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.45 |
| AlogP: | 1.9 | Num_rotatable_bonds: | 5 |
| MolWt: | 232.27 | Num_heavy_atoms: | 17 |
| TPSA: | 81.34 | NumAromaticRings: | 1 |
AD04023
Formula: C11H12O4PCl
Smiles:
COP1(=O)OCCC(c2cccc(Cl)c2)O1| HBA: | 4 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.4 |
| AlogP: | 3.57 | Num_rotatable_bonds: | 2 |
| MolWt: | 262.63 | Num_heavy_atoms: | 16 |
| TPSA: | 44.76 | NumAromaticRings: | 1 |
