Glycoside
GD135538
Name:
N-(3-hydroxy-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}octadec-4-en-2-yl)octadec-9-enamideFormula:
C42H79O8NSmiles:
CCCCCCCCC=CCCCCCCCC(O)=NC(COC1OC(CO)C(O)C(O)C1O)C(O)C=CCCCCCCCCCCCCCAglycone:
CCCCCCCCC=CCCCCCCCC(O)=NC(CO)C(O)C=CCCCCCCCCCCCCCSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.88 |
| AlogP: | 8.78 | Num_rotatable_bonds: | 34 |
| MolWt: | 726.09 | Num_heavy_atoms: | 51 |
| TPSA: | 152.2 | NumAromaticRings: | 0 |
Unique Aglycone
AD46223
Formula: C36H69O3N
Smiles:
CCCCCCCCC=CCCCCCCCC(O)=NC(CO)C(O)C=CCCCCCCCCCCCCC| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.86 |
| AlogP: | 10.96 | Num_rotatable_bonds: | 31 |
| MolWt: | 563.95 | Num_heavy_atoms: | 40 |
| TPSA: | 73.05 | NumAromaticRings: | 0 |
