Glycoside
GD147383
Name:
2-{2,3-bis[(3,7,11,15-tetramethylhexadecyl)oxy]propoxy}-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triolFormula:
C55H108O13Smiles:
CC(C)CCCC(C)CCCC(C)CCCC(C)CCOCC(COC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)OCCC(C)CCCC(C)CCCC(C)CCCC(C)CAglycone:
CC(C)CCCC(C)CCCC(C)CCCC(C)CCOCC(CO)OCCC(C)CCCC(C)CCCC(C)CCCC(C)CSugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 1.0 |
| AlogP: | 8.96 | Num_rotatable_bonds: | 40 |
| MolWt: | 977.46 | Num_heavy_atoms: | 68 |
| TPSA: | 196.99 | NumAromaticRings: | 0 |
Unique Aglycone
AD48602
Formula: C43H88O3
Smiles:
CC(C)CCCC(C)CCCC(C)CCCC(C)CCOCC(CO)OCCC(C)CCCC(C)CCCC(C)CCCC(C)C| HBA: | 3 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 13.31 | Num_rotatable_bonds: | 34 |
| MolWt: | 653.17 | Num_heavy_atoms: | 46 |
| TPSA: | 38.69 | NumAromaticRings: | 0 |
