Glycoside
GD115519
Name:
4-amino-1-{4-hydroxy-5-[({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methoxy)methyl]oxolan-2-yl}-1,2-dihydropyrimidin-2-oneFormula:
C16H25O10N3Smiles:
N=c1ccn(C2CC(O)C(COCOC3OC(CO)C(O)C(O)C3O)O2)c(O)n1Aglycone:
N=c1ccn(C2CC(O)C(COCO)O2)c(O)n1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.75 |
| AlogP: | -3.49 | Num_rotatable_bonds: | 7 |
| MolWt: | 419.39 | Num_heavy_atoms: | 29 |
| TPSA: | 199.97 | NumAromaticRings: | 1 |
Unique Aglycone
AD45713
Formula: C10H15O5N3
Smiles:
N=c1ccn(C2CC(O)C(COCO)O2)c(O)n1| HBA: | 8 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.6 |
| AlogP: | -1.32 | Num_rotatable_bonds: | 4 |
| MolWt: | 257.25 | Num_heavy_atoms: | 18 |
| TPSA: | 120.82 | NumAromaticRings: | 1 |
