Glycoside
GD143829
Name:
N-(3-hydroxy-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}octadec-4-en-2-yl)pentacosanamideFormula:
C49H95O8NSmiles:
CCCCCCCCCCCCCC=CC(O)C(COC1OC(CO)C(O)C(O)C1O)N=C(O)CCCCCCCCCCCCCCCCCCCCCCCCAglycone:
CCCCCCCCCCCCCC=CC(O)C(CO)N=C(O)CCCCCCCCCCCCCCCCCCCCCCCCSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.94 |
| AlogP: | 11.74 | Num_rotatable_bonds: | 42 |
| MolWt: | 826.3 | Num_heavy_atoms: | 58 |
| TPSA: | 152.2 | NumAromaticRings: | 0 |
Unique Aglycone
AD45627
Formula: C43H85O3N
Smiles:
CCCCCCCCCCCCCC=CC(O)C(CO)N=C(O)CCCCCCCCCCCCCCCCCCCCCCCC| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.93 |
| AlogP: | 13.91 | Num_rotatable_bonds: | 39 |
| MolWt: | 664.16 | Num_heavy_atoms: | 47 |
| TPSA: | 73.05 | NumAromaticRings: | 0 |
