Glycoside
GD156404
Name:
2-amino-4-{3-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-1-yl}butanoic acidFormula:
C13H19O8N3Smiles:
NC(CCn1c(=O)ccn(C2OC(CO)C(O)C2O)c1=O)C(=O)OAglycone:
NC(CCn1c(=O)cc[nH]c1=O)C(=O)OSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.62 |
| AlogP: | -3.58 | Num_rotatable_bonds: | 6 |
| MolWt: | 345.31 | Num_heavy_atoms: | 24 |
| TPSA: | 177.24 | NumAromaticRings: | 1 |
Unique Aglycone
AD23759
Formula: C8H11O4N3
Smiles:
NC(CCn1c(=O)cc[nH]c1=O)C(=O)O| HBA: | 7 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.38 |
| AlogP: | -1.66 | Num_rotatable_bonds: | 4 |
| MolWt: | 213.19 | Num_heavy_atoms: | 15 |
| TPSA: | 118.18 | NumAromaticRings: | 1 |
