Glycoside
GD039908
Name:
2-amino-5,6-dimercapto-7-methyl-3,7,8a,9-tetrahydro-8-oxa-1,3,9,10-tetraaza-anthracen-4-one guanosine dinucleotideFormula:
C20H24O13N10P2S2Smiles:
NC1=NC(=O)C2=N[C@@H]3C(S)=C(S)[C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@H]4O[C@H](n5cnc6c(=O)[nH]c(N)nc65)[C@@H](O)[C@H]4O)O[C@@H]3NC2=N1Aglycone:
COP(=O)(O)OP(=O)(O)OCC1OC2NC3=NC(N)=NC(=O)C3=NC2C(S)=C1S.Nc1nc2c(c(=O)[nH]1)N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 23 | RingCount: | 6 |
| HBD: | 10 | FractionCSP3: | 0.45 |
| AlogP: | -2.97 | Num_rotatable_bonds: | 9 |
| MolWt: | 738.55 | Num_heavy_atoms: | 47 |
| TPSA: | 343.0 | NumAromaticRings: | 2 |
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 |
AD24582
Formula: C11H15O9N5P2S2
Smiles:
COP(=O)(O)OP(=O)(O)OCC1OC2NC3=NC(N)=NC(=O)C3=NC2C(S)=C1S| HBA: | 14 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.45 |
| AlogP: | -0.67 | Num_rotatable_bonds: | 6 |
| MolWt: | 487.35 | Num_heavy_atoms: | 29 |
| TPSA: | 203.72 | NumAromaticRings: | 0 |
