Glycoside
GD134840
Name:
Beta-Sitosterol LaminaribiosideFormula:
C41H70O11Smiles:
CCC(CCC(C)C1CCC2C3CC=C4CC(OC5OC(CO)C(O)C(OC6OC(CO)C(O)C(O)C6O)C5O)CCC4(C)C3CCC12C)C(C)CAglycone:
CCC(CCC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C)C(C)CSugarmoiety:
OCC1OC(OC2C(O)C(O)OC(CO)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.95 |
| AlogP: | 3.67 | Num_rotatable_bonds: | 12 |
| MolWt: | 739.0 | Num_heavy_atoms: | 52 |
| TPSA: | 178.53 | 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 |
