Glycoside
GD037810
Name:
guanylate-o'-phosphoric acid mono-(2-amino-5,6-dimercapto-4-oxo-3,5,6,7,8a,9,10,10a-octahydro-4h-8-oxa-1,3,9,10-tetraaza-anthracen-7-ylmethyl) esterFormula:
C20H28O13N10P2S2Smiles:
Nc1nc2c(c(=O)[nH]1)N[C@H]1[C@@H](N2)O[C@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@H]2O[C@H](n3cnc4c(=O)[nH]c(N)nc43)[C@@H](O)[C@H]2O)[C@@H](S)[C@H]1SAglycone:
COP(=O)(O)OP(=O)(O)OCC1OC2Nc3nc(N)[nH]c(=O)c3NC2C(S)C1S.Nc1nc2c(c(=O)[nH]1)N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 23 | RingCount: | 6 |
| HBD: | 12 | FractionCSP3: | 0.55 |
| AlogP: | -2.53 | Num_rotatable_bonds: | 9 |
| MolWt: | 742.58 | Num_heavy_atoms: | 47 |
| TPSA: | 346.63 | 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 |
AD23737
Formula: C11H19O9N5P2S2
Smiles:
COP(=O)(O)OP(=O)(O)OCC1OC2Nc3nc(N)[nH]c(=O)c3NC2C(S)C1S| HBA: | 14 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.64 |
| AlogP: | -0.24 | Num_rotatable_bonds: | 6 |
| MolWt: | 491.38 | Num_heavy_atoms: | 29 |
| TPSA: | 207.35 | NumAromaticRings: | 1 |
