Glycoside
GD155028
Name:
2-{2-[5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]acetamido}pentanedioic acidFormula:
C15H19O10N3Smiles:
O=C(O)CCC(N=C(O)CC1OC(n2ccc(O)nc2=O)C(O)C1O)C(=O)OAglycone:
CC(O)=NC(CCC(=O)O)C(=O)O.O=c1nc(O)cc[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.53 |
| AlogP: | -1.77 | Num_rotatable_bonds: | 8 |
| MolWt: | 401.33 | Num_heavy_atoms: | 28 |
| TPSA: | 212.0 | 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 |
AD60729
Formula: C7H11O5N
Smiles:
CC(O)=NC(CCC(=O)O)C(=O)O| HBA: | 6 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.57 |
| AlogP: | 0.28 | Num_rotatable_bonds: | 5 |
| MolWt: | 189.17 | Num_heavy_atoms: | 13 |
| TPSA: | 107.19 | NumAromaticRings: | 0 |
