Glycoside
GD135559
Name:
N-(3-hydroxy-17-methyl-1-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}octadec-4-en-2-yl)docosanamideFormula:
C59H111O18NSmiles:
CCCCCCCCCCCCCCCCCCCCCC(O)=NC(COC1OC(COC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)C(O)C(O)C1O)C(O)C=CCCCCCCCCCCCC(C)CAglycone:
CCCCCCCCCCCCCCCCCCCCCC(O)=NC(CO)C(O)C=CCCCCCCCCCCCC(C)CSugarmoiety:
OCC1OC(OCC2OC(OCC3OC(O)C(O)C(O)C3O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 3 |
| HBD: | 12 | FractionCSP3: | 0.95 |
| AlogP: | 6.46 | Num_rotatable_bonds: | 45 |
| MolWt: | 1122.53 | Num_heavy_atoms: | 78 |
| TPSA: | 310.5 | NumAromaticRings: | 0 |
Unique Aglycone
AD54812
Formula: C41H81O3N
Smiles:
CCCCCCCCCCCCCCCCCCCCCC(O)=NC(CO)C(O)C=CCCCCCCCCCCCC(C)C| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.93 |
| AlogP: | 12.99 | Num_rotatable_bonds: | 36 |
| MolWt: | 636.1 | Num_heavy_atoms: | 45 |
| TPSA: | 73.05 | NumAromaticRings: | 0 |
