Glycoside
GD134390
Name:
3-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,3,6,7,8,9-hexahydro-1H-purine-2,6,8-trioneFormula:
C10H12O7N4Smiles:
O=c1nc(O)c2nc(O)[nH]c2n1C1OC(CO)C(O)C1OAglycone:
O=c1nc(O)c2nc(O)[nH]c2[nH]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.5 |
| AlogP: | -2.86 | Num_rotatable_bonds: | 2 |
| MolWt: | 300.23 | Num_heavy_atoms: | 21 |
| TPSA: | 173.95 | NumAromaticRings: | 2 |
Unique Aglycone
AD54371
Formula: C5H4O3N4
Smiles:
O=c1nc(O)c2nc(O)[nH]c2[nH]1| HBA: | 7 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | -0.94 | Num_rotatable_bonds: | 0 |
| MolWt: | 168.11 | Num_heavy_atoms: | 12 |
| TPSA: | 114.89 | NumAromaticRings: | 2 |
