Glycoside
GD037803
Name:
1-deoxy-1-({2,6-dioxo-5-[(e)-(2-oxoethylidene)amino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-d-ribitolFormula:
C11H16O7N4Smiles:
O=CC=Nc1c(NCC(O)C(O)C(O)CO)[nH]c(=O)[nH]c1=OAglycone:
CNc1[nH]c(=O)[nH]c(=O)c1N=CC=OSugarmoiety:
OCC(O)C(O)C(O)OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 1 |
| HBD: | 7 | FractionCSP3: | 0.45 |
| AlogP: | -3.55 | Num_rotatable_bonds: | 8 |
| MolWt: | 316.27 | Num_heavy_atoms: | 22 |
| TPSA: | 188.1 | NumAromaticRings: | 1 |
Unique Aglycone
AD23732
Formula: C7H8O3N4
Smiles:
CNc1[nH]c(=O)[nH]c(=O)c1N=CC=O| HBA: | 7 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.14 |
| AlogP: | -0.99 | Num_rotatable_bonds: | 3 |
| MolWt: | 196.17 | Num_heavy_atoms: | 14 |
| TPSA: | 107.18 | NumAromaticRings: | 1 |
