Hydroxyandrographolide

Hydroxyandrographolide
Compound Structure:
Synonyms: (4S)-3-[(1R)-2-[(1R,4aS,5R,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-1-hydroxyethyl]-4-hydroxyoxolan-2-one; 12S-hydroxyandrographolide
Compound ID: NMPC-1135
PubChem ID:

44575259
Molecular Formula: C20H32O6
Canonical SMILES: CC12CCC(C(C1CCC(=C)C2CC(C3C(COC3=O)O)O)(C)CO)O
InChIKey: NLYQWYLWLQBMPF-BRQCOXQQSA-N
About the compound:
Properties:

Chemical and Physical Properties

Computed Properties

Property Name

Property Value

Molecular Weight

368.5 g/mol

XLogP3-AA

1.9

Hydrogen Bond Donor Count

4

Hydrogen Bond Acceptor Count

6

Rotatable Bond Count

4

Exact Mass

368.21988874 g/mol

Monoisotopic Mass

368.21988874 g/mol

Topological Polar Surface Area

107Ų

Heavy Atom Count

26

Formal Charge

0

Complexity

577

Isotope Atom Count

0

Defined Atom Stereocenter Count

7

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: Eremomastax speciosa
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