Glycoside
GD116619
Name:
3-{[2-hydroxy-6-oxo-5-(3,4,5-trihydroxyoxan-2-yl)-1,6-dihydropyridin-3-yl]imino}-5-(3,4,5-trihydroxyoxan-2-yl)-1,2,3,6-tetrahydropyridine-2,6-dioneFormula:
C20H23O12N3Smiles:
O=C1N=C(O)C(C2OCC(O)C(O)C2O)=CC1=Nc1cc(C2OCC(O)C(O)C2O)c(O)nc1OAglycone:
O=C1N=C(O)C=CC1=Nc1ccc(O)nc1OSugarmoiety:
OC1COC(O)C(O)C1O.OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.5 |
| AlogP: | -3.38 | Num_rotatable_bonds: | 3 |
| MolWt: | 497.41 | Num_heavy_atoms: | 35 |
| TPSA: | 255.21 | NumAromaticRings: | 1 |
Unique Aglycone
AD46347
Formula: C10H7O4N3
Smiles:
O=C1N=C(O)C=CC1=Nc1ccc(O)nc1O| HBA: | 7 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 0.62 | Num_rotatable_bonds: | 1 |
| MolWt: | 233.18 | Num_heavy_atoms: | 17 |
| TPSA: | 115.37 | NumAromaticRings: | 1 |
