oleanolic acid beta-D-glucopyranosyl ester

oleanolic acid beta-D-glucopyranosyl ester
Compound Structure:
Synonyms: oleanolic acid beta-D-glucopyranosyl ester;Beta-D-glucopyranosyl oleanolate;CHEBI:67985;Oleanolic acid 28-O-beta-D-glucopyranoside;Oleanolic acid 28-O-|A-D-glucopyranoside
Compound ID: NMPC-211
PubChem ID:

14189384
Molecular Formula: C36H58O8
Canonical SMILES: CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1)C)C(=O)OC6C(C(C(C(O6)CO)O)O)O)C
InChIKey: KMKFOIBUKYMVRJ-YHFBEQRYSA-N
About the compound:

Oleanolic acid 28-O-beta-D-glucopyranoside is a triterpenoid saponin, and it is found in nature as oleanolic acid beta-D-glucopyranosyl ester. It is present in various plants, including Hemsleya macrosperma and Camphorosma monspeliaca. Triterpenoids and saponins often have diverse biological activities and are found in a wide range of plant species.
Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

618.8 g/mol

XLogP3-AA

5.7

Hydrogen Bond Donor Count

5

Hydrogen Bond Acceptor Count

8

Rotatable Bond Count

4

Exact Mass

618.41316880 g/mol

Monoisotopic Mass

618.41316880 g/mol

Topological Polar Surface Area

137Ų

Heavy Atom Count

44

Formal Charge

0

Complexity

1180

Isotope Atom Count

0

Defined Atom Stereocenter Count

13

Undefined Atom Stereocenter Count

0

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Source: PubChem
Source Species: Nymphaea lotus
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