Glycoside
GD038234
Name:
5'-o-(2-amino-4-oxo-1,4-dihydropteridine-6-carbonyl)adenosineFormula:
C17H16O6N10Smiles:
Nc1nc(=O)c2nc(C(=O)OC[C@H]3O[C@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)cnc2[nH]1Aglycone:
COC(=O)c1cnc2[nH]c(N)nc(=O)c2n1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.29 |
| AlogP: | -2.51 | Num_rotatable_bonds: | 4 |
| MolWt: | 456.38 | Num_heavy_atoms: | 33 |
| TPSA: | 243.16 | NumAromaticRings: | 4 |
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 |
AD23924
Formula: C8H7O3N5
Smiles:
COC(=O)c1cnc2[nH]c(N)nc(=O)c2n1| HBA: | 8 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.12 |
| AlogP: | -0.92 | Num_rotatable_bonds: | 1 |
| MolWt: | 221.18 | Num_heavy_atoms: | 16 |
| TPSA: | 123.85 | NumAromaticRings: | 2 |
