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Strictosidine

Strictosidine structure

CAS No:
20824-29-7
Formula:
C27H34N2O9
Chemical Name:
Strictosidine
Synonyms:
2H-Pyran-5-carboxylic acid,3-ethenyl-2-(β-D-glucopyranosyloxy)-3,4-dihydro-4-[[(1S)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl]methyl]-,methyl ester,(2S,3R,4S)-;Strictosidine;2H-Pyran-5-carboxylic acid,3-ethenyl-2-(β-D-glucopyranosyloxy)-3,4-dihydro-4-[(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)methyl]-,methyl ester,[2S-[2α,3β,4β(R*)]]-;1H-Pyrido[3,4-b]indole,2H-pyran-5-carboxylic acid deriv.;Isovincoside;3-Isovincoside;Strictosidin;3α(S)-Strictosidine;19471-34-2;21597-88-6;27459-79-6
Categories:
Organic Chemistry > Organosulfur Compounds

Description

3alpha(S)-strictosidine is a methyl ester, an indole alkaloid, an alkaloid ester and a beta-D-glucoside. It is a conjugate acid of a 3alpha(S)-strictosidinium(1+).

Strictosidine Basic Attributes

Molecular Weight：

530.6 g/mol

Exact Mass：

530.57

Characteristics

PSA：

163 Å²

Melting Point：

161-165 °C

Drug Information

MeSH Entry Terms：

isovincoside

Computed Properties

Molecular Weight:530.6
XLogP3:0.6
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:8
Exact Mass:530.22643067
Monoisotopic Mass:530.22643067
Topological Polar Surface Area:163
Heavy Atom Count:38
Complexity:887
Defined Atom Stereocenter Count:9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes