Glycoside
GD157599
Name:
2-amino-6-(1,2-dihydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propyl)-3,4-dihydropteridin-4-oneFormula:
C15H21O9N5Smiles:
N=c1nc(O)c2nc(C(O)C(O)COC3OC(CO)C(O)C(O)C3O)cnc2[nH]1Aglycone:
N=c1nc(O)c2nc(C(O)C(O)CO)cnc2[nH]1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 9 | FractionCSP3: | 0.6 |
| AlogP: | -4.25 | Num_rotatable_bonds: | 6 |
| MolWt: | 415.36 | Num_heavy_atoms: | 29 |
| TPSA: | 238.38 | NumAromaticRings: | 2 |
Unique Aglycone
AD57688
Formula: C9H11O4N5
Smiles:
N=c1nc(O)c2nc(C(O)C(O)CO)cnc2[nH]1| HBA: | 9 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.33 |
| AlogP: | -2.08 | Num_rotatable_bonds: | 3 |
| MolWt: | 253.22 | Num_heavy_atoms: | 18 |
| TPSA: | 159.23 | NumAromaticRings: | 2 |
