Glycoside
GD020139
Name:
NoneFormula:
C11H18O13N5P3SSmiles:
CSC(OP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@H]1OAglycone:
CSCOP(=O)(O)OP(=O)(O)OP(=O)(O)O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.55 |
| AlogP: | -0.94 | Num_rotatable_bonds: | 9 |
| MolWt: | 553.28 | Num_heavy_atoms: | 33 |
| TPSA: | 279.13 | 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 |
AD13951
Formula: C2H9O10P3S
Smiles:
CSCOP(=O)(O)OP(=O)(O)OP(=O)(O)O| HBA: | 10 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | 0.65 | Num_rotatable_bonds: | 7 |
| MolWt: | 318.07 | Num_heavy_atoms: | 16 |
| TPSA: | 159.82 | NumAromaticRings: | 0 |
