Glycoside
GD151467
Name:
Bruceolline GFormula:
C20H18O7N2Smiles:
O=c1ccc2nccc3c4c(OC5OC(CO)C(O)C(O)C5O)cccc4n1c23Aglycone:
O=c1ccc2nccc3c4c(O)cccc4n1c23Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.3 |
| AlogP: | -0.38 | Num_rotatable_bonds: | 3 |
| MolWt: | 398.37 | Num_heavy_atoms: | 29 |
| TPSA: | 133.75 | NumAromaticRings: | 4 |
Unique Aglycone
AD60093
Formula: C14H8O2N2
Smiles:
O=c1ccc2nccc3c4c(O)cccc4n1c23| HBA: | 4 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 2.14 | Num_rotatable_bonds: | 0 |
| MolWt: | 236.23 | Num_heavy_atoms: | 18 |
| TPSA: | 54.6 | NumAromaticRings: | 4 |
