Glycoside
GD118182
Name:
N-(1-{[3,4-dihydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3-hydroxy-16-methyloctadec-4-en-2-yl)-2-hydroxytetracosanamideFormula:
C55H105O14NSmiles:
CCCCCCCCCCCCCCCCCCCCCCC(O)C(O)=NC(COC1OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O)C(O)C=CCCCCCCCCCCC(C)CCAglycone:
CCCCCCCCCCCCCCCCCCCCCCC(O)C(O)=NC(CO)C(O)C=CCCCCCCCCCCC(C)CCSugarmoiety:
OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 2 |
| HBD: | 10 | FractionCSP3: | 0.95 |
| AlogP: | 8.39 | Num_rotatable_bonds: | 44 |
| MolWt: | 1004.44 | Num_heavy_atoms: | 70 |
| TPSA: | 251.58 | NumAromaticRings: | 0 |
Unique Aglycone
AD47228
Formula: C43H85O4N
Smiles:
CCCCCCCCCCCCCCCCCCCCCCC(O)C(O)=NC(CO)C(O)C=CCCCCCCCCCCC(C)CC| HBA: | 5 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 0.93 |
| AlogP: | 12.74 | Num_rotatable_bonds: | 38 |
| MolWt: | 680.16 | Num_heavy_atoms: | 48 |
| TPSA: | 93.28 | NumAromaticRings: | 0 |
