Glycoside
GD117074
Name:
Molybdopterin Guanine DinucleotideFormula:
C20H24O13N10P2S2Smiles:
N=c1nc(O)c2nc(C(S)=C(S)C(O)COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(O)nc(=N)[nH]c54)C(O)C3O)cnc2[nH]1Aglycone:
COP(=O)(O)OP(=O)(O)OCC(O)C(S)=C(S)c1cnc2[nH]c(=N)nc(O)c2n1.N=c1nc(O)c2c([nH]1)[N]C=N2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 23 | RingCount: | 5 |
| HBD: | 11 | FractionCSP3: | 0.35 |
| AlogP: | -1.75 | Num_rotatable_bonds: | 11 |
| MolWt: | 738.55 | Num_heavy_atoms: | 47 |
| TPSA: | 361.33 | NumAromaticRings: | 4 |
Unique Aglycone
AD44903
Formula: C5H4ON5
Smiles:
N=c1nc(O)c2c([nH]1)[N]C=N2| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.5 | Num_rotatable_bonds: | 0 |
| MolWt: | 150.12 | Num_heavy_atoms: | 11 |
| TPSA: | 99.22 | NumAromaticRings: | 1 |
AD46620
Formula: C11H15O9N5P2S2
Smiles:
COP(=O)(O)OP(=O)(O)OCC(O)C(S)=C(S)c1cnc2[nH]c(=N)nc(O)c2n1| HBA: | 14 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.27 |
| AlogP: | 0.31 | Num_rotatable_bonds: | 8 |
| MolWt: | 487.35 | Num_heavy_atoms: | 29 |
| TPSA: | 221.06 | NumAromaticRings: | 2 |
