Glycoside
GD039634
Name:
pterin cytosine dinucleotideFormula:
C19H22O13N8P2S2Smiles:
Nc1ccn([C@H]2O[C@H](CO[P@](=O)(O)O[P@](=O)(O)OC[C@H]3Oc4nc5nc(N)nc(O)c5nc4C(S)=C3S)[C@H](O)[C@@H]2O)c(=O)n1Aglycone:
COP(=O)(O)OP(=O)(O)OCC1Oc2nc3nc(N)nc(O)c3nc2C(S)=C1S.Nc1cc[nH]c(=O)n1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.37 |
| AlogP: | -1.29 | Num_rotatable_bonds: | 9 |
| MolWt: | 696.51 | Num_heavy_atoms: | 44 |
| TPSA: | 319.93 | NumAromaticRings: | 3 |
Unique Aglycone
AD00115
Formula: C4H5ON3
Smiles:
Nc1cc[nH]c(=O)n1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.65 | Num_rotatable_bonds: | 0 |
| MolWt: | 111.1 | Num_heavy_atoms: | 8 |
| TPSA: | 71.77 | NumAromaticRings: | 1 |
AD24479
Formula: C11H13O9N5P2S2
Smiles:
COP(=O)(O)OP(=O)(O)OCC1Oc2nc3nc(N)nc(O)c3nc2C(S)=C1S| HBA: | 14 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.27 |
| AlogP: | 0.88 | Num_rotatable_bonds: | 6 |
| MolWt: | 485.33 | Num_heavy_atoms: | 29 |
| TPSA: | 209.33 | NumAromaticRings: | 2 |
