Glycoside
GD117742
Name:
Beta-D-Glucosyl-(1<->1')-N-Docosanoyl-(4E,14Z)-SphingadienineFormula:
C46H87O8NSmiles:
CCCC=CCCCCCCCCC=CC(O)C(COC1OC(CO)C(O)C(O)C1O)N=C(O)CCCCCCCCCCCCCCCCCCCCCAglycone:
CCCC=CCCCCCCCCC=CC(O)C(CO)N=C(O)CCCCCCCCCCCCCCCCCCCCCSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.89 |
| AlogP: | 10.34 | Num_rotatable_bonds: | 38 |
| MolWt: | 782.2 | Num_heavy_atoms: | 55 |
| TPSA: | 152.2 | NumAromaticRings: | 0 |
Unique Aglycone
AD46984
Formula: C40H77O3N
Smiles:
CCCC=CCCCCCCCCC=CC(O)C(CO)N=C(O)CCCCCCCCCCCCCCCCCCCCC| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.88 |
| AlogP: | 12.52 | Num_rotatable_bonds: | 35 |
| MolWt: | 620.06 | Num_heavy_atoms: | 44 |
| TPSA: | 73.05 | NumAromaticRings: | 0 |
