Glycoside
GD158172
Name:
Beta-Sitosterol Glucoside-3'-O-HexacosanoicateFormula:
C61H110O7Smiles:
CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC1C(O)C(CO)OC(OC2CCC3(C)C(=CCC4C3CCC3(C)C(C(C)CCC(CC)C(C)C)CCC43)C2)C1OAglycone:
CCC(CCC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C)C(C)C.CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.95 |
| AlogP: | 15.78 | Num_rotatable_bonds: | 34 |
| MolWt: | 955.54 | Num_heavy_atoms: | 68 |
| TPSA: | 105.45 | NumAromaticRings: | 0 |
Unique Aglycone
AD01460
Formula: C29H50O
Smiles:
CCC(CCC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C)C(C)C| HBA: | 1 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.93 |
| AlogP: | 8.02 | Num_rotatable_bonds: | 6 |
| MolWt: | 414.72 | Num_heavy_atoms: | 30 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
AD62461
Formula: C26H52O2
Smiles:
CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.96 |
| AlogP: | 9.45 | Num_rotatable_bonds: | 24 |
| MolWt: | 396.7 | Num_heavy_atoms: | 28 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
