sitosterol-3-O- β-D-glucopyranoside

sitosterol-3-O- β-D-glucopyranoside
Compound Structure:
Synonyms: beta-sitosterol-3-beta-d-glucoside
Compound ID: NMPC-1488
PubChem ID:

12309056
Molecular Formula: C35H60O6
Canonical SMILES: CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC5C(C(C(C(O5)CO)O)O)O)C)C)C(C)C
InChIKey: NPJICTMALKLTFW-UBHZQOMUSA-N
About the compound:
Properties:

Computed Properties

Property Name

Property Value

Molecular Weight

576.8 g/mol

XLogP3-AA

7.7

Hydrogen Bond Donor Count

4

Hydrogen Bond Acceptor Count

6

Rotatable Bond Count

9

Exact Mass

576.43898963 g/mol

Monoisotopic Mass

576.43898963 g/mol

Topological Polar Surface Area

99.4Ų

Heavy Atom Count

41

Formal Charge

0

Complexity

920

Isotope Atom Count

0

Defined Atom Stereocenter Count

13

Undefined Atom Stereocenter Count

1

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Source:PubChem
Source Species: Ficus exasperata
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