Glycoside
GD039636
Name:
phosphoric acid 4-(2-amino-4-oxo-3,4,5,6,-tetrahydro-pteridin-6-yl)-2-hydroxy-3,4-dimercapto-but-3-en-yl ester guanylate esterFormula:
C20H26O13N10P2S2Smiles:
Nc1nc2c(c(=O)[nH]1)N[C@H](C(S)=C(S)[C@H](O)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@H]1O[C@H](n3cnc4c(=O)[nH]c(N)nc43)[C@@H](O)[C@H]1O)C=N2Aglycone:
COP(=O)(O)OP(=O)(O)OCC(O)C(S)=C(S)C1C=Nc2nc(N)[nH]c(=O)c2N1.Nc1nc2c(c(=O)[nH]1)N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 23 | RingCount: | 5 |
| HBD: | 12 | FractionCSP3: | 0.4 |
| AlogP: | -2.13 | Num_rotatable_bonds: | 11 |
| MolWt: | 740.57 | Num_heavy_atoms: | 47 |
| TPSA: | 357.96 | NumAromaticRings: | 3 |
Unique Aglycone
AD00207
Formula: C5H4ON5
Smiles:
Nc1nc2c(c(=O)[nH]1)N=C[N]2| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.74 | Num_rotatable_bonds: | 0 |
| MolWt: | 150.12 | Num_heavy_atoms: | 11 |
| TPSA: | 98.23 | NumAromaticRings: | 1 |
AD24480
Formula: C11H17O9N5P2S2
Smiles:
COP(=O)(O)OP(=O)(O)OCC(O)C(S)=C(S)C1C=Nc2nc(N)[nH]c(=O)c2N1| HBA: | 14 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.36 |
| AlogP: | 0.16 | Num_rotatable_bonds: | 8 |
| MolWt: | 489.37 | Num_heavy_atoms: | 29 |
| TPSA: | 218.68 | NumAromaticRings: | 1 |
