Glycoside
GD147141
Name:
N-[1-({4,5-dihydroxy-3-[(1-hydroxybutylidene)amino]-6-(hydroxymethyl)oxan-2-yl}oxy)-3-methyl-1-oxobutan-2-yl]hexadec-8-enimidic acidFormula:
C31H56O8N2Smiles:
CCCCCCCC=CCCCCCCC(O)=NC(C(=O)OC1OC(CO)C(O)C(O)C1N=C(O)CCC)C(C)CAglycone:
CCCC(=N)O.CCCCCCCC=CCCCCCCC(O)=NC(C(=O)O)C(C)CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.84 |
| AlogP: | 5.33 | Num_rotatable_bonds: | 21 |
| MolWt: | 584.79 | Num_heavy_atoms: | 41 |
| TPSA: | 161.4 | NumAromaticRings: | 0 |
Unique Aglycone
AD53054
Formula: C4H9ON
Smiles:
CCCC(=N)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.75 |
| AlogP: | 1.32 | Num_rotatable_bonds: | 2 |
| MolWt: | 87.12 | Num_heavy_atoms: | 6 |
| TPSA: | 44.08 | NumAromaticRings: | 0 |
AD58933
Formula: C21H39O3N
Smiles:
CCCCCCCC=CCCCCCCC(O)=NC(C(=O)O)C(C)C| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.81 |
| AlogP: | 6.31 | Num_rotatable_bonds: | 16 |
| MolWt: | 353.55 | Num_heavy_atoms: | 25 |
| TPSA: | 69.89 | NumAromaticRings: | 0 |
