Glycoside
GD137906
Name:
3-(2-{2,5,5,8a-tetramethyl-2-[(3,4,5-trihydroxyoxan-2-yl)oxy]-decahydronaphthalen-1-yl}ethyl)-4-hydroxybut-2-en-1-yl 3-hydroxyoctadecanoateFormula:
C43H78O9Smiles:
CCCCCCCCCCCCCCCC(O)CC(=O)OCC=C(CO)CCC1C(C)(OC2OCC(O)C(O)C2O)CCC2C(C)(C)CCCC21CAglycone:
CCCCCCCCCCCCCCCC(O)CC(=O)OCC=C(CO)CCC1C(C)(O)CCC2C(C)(C)CCCC21CSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.93 |
| AlogP: | 7.92 | Num_rotatable_bonds: | 24 |
| MolWt: | 739.09 | Num_heavy_atoms: | 52 |
| TPSA: | 145.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD55693
Formula: C38H70O5
Smiles:
CCCCCCCCCCCCCCCC(O)CC(=O)OCC=C(CO)CCC1C(C)(O)CCC2C(C)(C)CCCC21C| HBA: | 5 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.92 |
| AlogP: | 9.45 | Num_rotatable_bonds: | 22 |
| MolWt: | 606.97 | Num_heavy_atoms: | 43 |
| TPSA: | 86.99 | NumAromaticRings: | 0 |
