Glycoside
GD135851
Name:
6-{[1-(2-amino-4-oxo-3,4-dihydropteridin-6-yl)-1,3,4,5-tetrahydroxypentan-2-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acidFormula:
C17H23O12N5Smiles:
N=c1nc(O)c2nc(C(O)C(OC3OC(C(=O)O)C(O)C(O)C3O)C(O)C(O)CO)cnc2[nH]1Aglycone:
N=c1nc(O)c2nccnc2[nH]1Sugarmoiety:
O=C(O)C1OC(OC(C(O)O)C(O)C(O)CO)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 3 |
| HBD: | 11 | FractionCSP3: | 0.59 |
| AlogP: | -5.44 | Num_rotatable_bonds: | 8 |
| MolWt: | 489.39 | Num_heavy_atoms: | 34 |
| TPSA: | 295.91 | NumAromaticRings: | 2 |
Unique Aglycone
AD54636
Formula: C6H5ON5
Smiles:
N=c1nc(O)c2nccnc2[nH]1| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.46 | Num_rotatable_bonds: | 0 |
| MolWt: | 163.14 | Num_heavy_atoms: | 12 |
| TPSA: | 98.54 | NumAromaticRings: | 2 |
