Glycoside
GD005356
Name:
NoneFormula:
C13H22O13N5P3SSmiles:
CCCSC(OP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@H]1OAglycone:
CCCSCOP(=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: | 0.62 |
| AlogP: | -0.16 | Num_rotatable_bonds: | 11 |
| MolWt: | 581.33 | Num_heavy_atoms: | 35 |
| 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 |
AD04564
Formula: C4H13O10P3S
Smiles:
CCCSCOP(=O)(O)OP(=O)(O)OP(=O)(O)O| HBA: | 10 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | 1.43 | Num_rotatable_bonds: | 9 |
| MolWt: | 346.13 | Num_heavy_atoms: | 18 |
| TPSA: | 159.82 | NumAromaticRings: | 0 |
