Glycoside
GD150418
Name:
N-(4-aminobutyl)-3-(4-hydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)prop-2-enamideFormula:
C19H28O8N2Smiles:
NCCCCN=C(O)C=Cc1ccc(O)c(OC2OC(CO)C(O)C(O)C2O)c1Aglycone:
NCCCCN=C(O)C=Cc1ccc(O)c(O)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 8 | FractionCSP3: | 0.53 |
| AlogP: | -0.72 | Num_rotatable_bonds: | 9 |
| MolWt: | 412.44 | Num_heavy_atoms: | 29 |
| TPSA: | 178.22 | NumAromaticRings: | 1 |
Unique Aglycone
AD60087
Formula: C13H18O3N2
Smiles:
NCCCCN=C(O)C=Cc1ccc(O)c(O)c1| HBA: | 5 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.31 |
| AlogP: | 1.81 | Num_rotatable_bonds: | 6 |
| MolWt: | 250.3 | Num_heavy_atoms: | 18 |
| TPSA: | 99.07 | NumAromaticRings: | 1 |
