Glycoside
GD133363
Name:
2-[2-amino-4-hydroxy-4-(4-hydroxyphenyl)-3-methylbutanamido]-2-[5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]acetic acidFormula:
C21H26O10N4Smiles:
CC(C(N)C(O)=NC(C(=O)O)C1OC(n2ccc(O)nc2=O)C(O)C1O)C(O)c1ccc(O)cc1Aglycone:
CC(C(N)C(O)=NCC(=O)O)C(O)c1ccc(O)cc1.O=c1nc(O)cc[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 9 | FractionCSP3: | 0.43 |
| AlogP: | -1.62 | Num_rotatable_bonds: | 8 |
| MolWt: | 494.46 | Num_heavy_atoms: | 35 |
| TPSA: | 241.18 | NumAromaticRings: | 2 |
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 |
AD53981
Formula: C13H18O5N2
Smiles:
CC(C(N)C(O)=NCC(=O)O)C(O)c1ccc(O)cc1| HBA: | 7 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.38 |
| AlogP: | 0.43 | Num_rotatable_bonds: | 6 |
| MolWt: | 282.3 | Num_heavy_atoms: | 20 |
| TPSA: | 136.37 | NumAromaticRings: | 1 |
