Glycoside
GD125150
Name:
2-{2-amino-2-[5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]acetamido}pentanedioic acidFormula:
C15H20O10N4Smiles:
NC(C(O)=NC(CCC(=O)O)C(=O)O)C1OC(n2ccc(O)nc2=O)C(O)C1OAglycone:
NCC(O)=NC(CCC(=O)O)C(=O)O.O=c1nc(O)cc[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 2 |
| HBD: | 8 | FractionCSP3: | 0.53 |
| AlogP: | -2.83 | Num_rotatable_bonds: | 8 |
| MolWt: | 416.34 | Num_heavy_atoms: | 29 |
| TPSA: | 238.02 | NumAromaticRings: | 1 |
Unique Aglycone
AD15478
Formula: C4H4O2N2
Smiles:
O=c1nc(O)cc[nH]1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.52 | Num_rotatable_bonds: | 0 |
| MolWt: | 112.09 | Num_heavy_atoms: | 8 |
| TPSA: | 65.98 | NumAromaticRings: | 1 |
AD50606
Formula: C7H12O5N2
Smiles:
NCC(O)=NC(CCC(=O)O)C(=O)O| HBA: | 7 | RingCount: | 0 |
| HBD: | 5 | FractionCSP3: | 0.57 |
| AlogP: | -0.78 | Num_rotatable_bonds: | 6 |
| MolWt: | 204.18 | Num_heavy_atoms: | 14 |
| TPSA: | 133.21 | NumAromaticRings: | 0 |
