Glycoside
GD039646
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:
C20H26O13N10P2S2Smiles:
Nc1nc2c(c(=O)[nH]1)N[C@@H]1C(S)=C(S)[C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@H]3O[C@H](n4cnc5c(=O)[nH]c(N)nc54)[C@@H](O)[C@H]3O)O[C@@H]1N2Aglycone:
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: | 0.45 |
| AlogP: | -2.06 | Num_rotatable_bonds: | 9 |
| MolWt: | 740.57 | 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 |
AD24486
Formula: C11H17O9N5P2S2
Smiles:
COP(=O)(O)OP(=O)(O)OCC1OC2Nc3nc(N)[nH]c(=O)c3NC2C(S)=C1S| HBA: | 14 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.45 |
| AlogP: | 0.23 | Num_rotatable_bonds: | 6 |
| MolWt: | 489.37 | Num_heavy_atoms: | 29 |
| TPSA: | 207.35 | NumAromaticRings: | 1 |
