Glycoside
GD153693
Name:
({2-amino-4-oxo-6,7-disulfanyl-3H,4H,5H,5aH,8H,9aH,10H-pyrano[3,2-g]pteridin-8-yl}methoxy)[({[5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]phosphinic acidFormula:
C20H26O12N10P2S2Smiles:
N=c1nc(O)c2c([nH]1)NC1OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(S)=C(S)C1N2Aglycone:
COP(=O)(O)OP(=O)(O)OCC1OC2Nc3[nH]c(=N)nc(O)c3NC2C(S)=C1S.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 6 |
| HBD: | 11 | FractionCSP3: | 0.45 |
| AlogP: | -1.11 | Num_rotatable_bonds: | 9 |
| MolWt: | 724.57 | Num_heavy_atoms: | 46 |
| TPSA: | 327.65 | NumAromaticRings: | 3 |
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 |
AD61097
Formula: C11H17O9N5P2S2
Smiles:
COP(=O)(O)OP(=O)(O)OCC1OC2Nc3[nH]c(=N)nc(O)c3NC2C(S)=C1S| HBA: | 14 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.45 |
| AlogP: | 0.48 | Num_rotatable_bonds: | 6 |
| MolWt: | 489.37 | Num_heavy_atoms: | 29 |
| TPSA: | 208.34 | NumAromaticRings: | 1 |
