Glycoside
GD153217
Name:
3-[2-(6-aminopyridin-3-yl)ethyl]-1-hydroxy-6-methoxy-8-{[3,4,5,6-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9,10-dihydroanthracene-9,10-dioneFormula:
C28H28O11N2Smiles:
COc1cc(OC2OC(O)(CO)C(O)C(O)C2O)c2c(c1)C(=O)c1cc(CCc3ccc(=N)[nH]c3)cc(O)c1C2=OAglycone:
COc1cc(O)c2c(c1)C(=O)c1cc(CCc3ccc(=N)[nH]c3)cc(O)c1C2=OSugarmoiety:
OCC1(O)OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.32 |
| AlogP: | -0.73 | Num_rotatable_bonds: | 7 |
| MolWt: | 568.54 | Num_heavy_atoms: | 41 |
| TPSA: | 222.85 | NumAromaticRings: | 3 |
Unique Aglycone
AD48479
Formula: C22H18O5N2
Smiles:
COc1cc(O)c2c(c1)C(=O)c1cc(CCc3ccc(=N)[nH]c3)cc(O)c1C2=O| HBA: | 7 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.14 |
| AlogP: | 2.47 | Num_rotatable_bonds: | 4 |
| MolWt: | 390.4 | Num_heavy_atoms: | 29 |
| TPSA: | 123.47 | NumAromaticRings: | 3 |
