Glycoside
GD156586
Name:
3-[2-(6-aminopyridin-3-yl)ethyl]-1-hydroxy-2-[(3-hydroxyphenyl)methyl]-6-methoxy-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9,10-dihydroanthracene-9,10-dioneFormula:
C35H34O11N2Smiles:
COc1cc(OC2OC(CO)C(O)C(O)C2O)c2c(c1)C(=O)c1cc(CCc3ccc(=N)[nH]c3)c(Cc3cccc(O)c3)c(O)c1C2=OAglycone:
COc1cc(O)c2c(c1)C(=O)c1cc(CCc3ccc(=N)[nH]c3)c(Cc3cccc(O)c3)c(O)c1C2=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.29 |
| AlogP: | 1.24 | Num_rotatable_bonds: | 9 |
| MolWt: | 658.66 | Num_heavy_atoms: | 48 |
| TPSA: | 222.85 | NumAromaticRings: | 4 |
Unique Aglycone
AD61984
Formula: C29H24O6N2
Smiles:
COc1cc(O)c2c(c1)C(=O)c1cc(CCc3ccc(=N)[nH]c3)c(Cc3cccc(O)c3)c(O)c1C2=O| HBA: | 8 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.14 |
| AlogP: | 3.77 | Num_rotatable_bonds: | 6 |
| MolWt: | 496.52 | Num_heavy_atoms: | 37 |
| TPSA: | 143.7 | NumAromaticRings: | 4 |
