Glycoside
GD134177
Name:
3-({2-[(6-aminopyridin-3-yl)methyl]cyclohexyl}methyl)-1-hydroxy-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4a,9,9a,10-tetrahydroanthracene-9,10-dioneFormula:
C33H38O9N2Smiles:
N=c1ccc(CC2CCCCC2CC2=CC3C(=O)c4cccc(OC5OC(CO)C(O)C(O)C5O)c4C(=O)C3C(O)=C2)c[nH]1Aglycone:
N=c1ccc(CC2CCCCC2CC2=CC3C(=O)c4cccc(O)c4C(=O)C3C(O)=C2)c[nH]1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.48 |
| AlogP: | 2.11 | Num_rotatable_bonds: | 7 |
| MolWt: | 606.67 | Num_heavy_atoms: | 44 |
| TPSA: | 193.39 | NumAromaticRings: | 2 |
Unique Aglycone
AD54282
Formula: C27H28O4N2
Smiles:
N=c1ccc(CC2CCCCC2CC2=CC3C(=O)c4cccc(O)c4C(=O)C3C(O)=C2)c[nH]1| HBA: | 6 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.37 |
| AlogP: | 4.63 | Num_rotatable_bonds: | 4 |
| MolWt: | 444.53 | Num_heavy_atoms: | 33 |
| TPSA: | 114.24 | NumAromaticRings: | 2 |
