Glycoside
GD131168
Name:
2-{[2-amino-1,4-dihydroxy-5-(C-hydroxycarbonimidoyloxy)pentylidene]amino}-2-[3,4-dihydroxy-5-(4-hydroxy-2-oxo-1,2-dihydropyrimidin-1-yl)oxolan-2-yl]acetic acidFormula:
C16H23O11N5Smiles:
N=C(O)OCC(O)CC(N)C(O)=NC(C(=O)O)C1OC(n2ccc(O)nc2=O)C(O)C1OAglycone:
N=C(O)OCC(O)CC(N)C(O)=NCC(=O)O.O=c1nc(O)cc[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 2 |
| HBD: | 10 | FractionCSP3: | 0.56 |
| AlogP: | -3.43 | Num_rotatable_bonds: | 9 |
| MolWt: | 461.38 | Num_heavy_atoms: | 32 |
| TPSA: | 274.26 | 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 |
AD53151
Formula: C8H15O6N3
Smiles:
N=C(O)OCC(O)CC(N)C(O)=NCC(=O)O| HBA: | 9 | RingCount: | 0 |
| HBD: | 7 | FractionCSP3: | 0.62 |
| AlogP: | -1.38 | Num_rotatable_bonds: | 7 |
| MolWt: | 249.22 | Num_heavy_atoms: | 17 |
| TPSA: | 169.45 | NumAromaticRings: | 0 |
