(3beta,5alpha,6alpha,23R,25S)-3,23-Dihydroxyspirostan-6-yl 6-deoxy-3-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside

Substructure search Find similar structures

Basic information

CAS: 185012-38-8
Standard SMILES: C[C@@H]1CO[C@@]2(O[C@H]3C[C@H]4[C@@H]5C[C@H](O[C@@H]6O[C@H](C)[C@@H](O)[C@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H]6O)[C@H]6C[C@@H](O)CC[C@]6(C)[C@H]5CC[C@]4(C)[C@H]3[C@@H]2C)[C@H](O)C1
InChIKey: DRLHUZGVDNWMNU-UUXYWYICSA-N
Molecular formula: C39H64O13
Average molar mass: 740.9 g/mol
Monoisotopic mass: 740.43469209

Overview

(3beta,5alpha,6alpha,23R,25S)-3,23-Dihydroxyspirostan-6-yl 6-deoxy-3-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside has been reported in Solanum torvum with data available.

Names & identifiers

Preferred name: (3beta,5alpha,6alpha,23R,25S)-3,23-Dihydroxyspirostan-6-yl 6-deoxy-3-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside
IUPAC: (2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5R,6R)-2-[(1R,2S,3'R,4S,5'S,6S,7S,8R,9S,12S,13R,16S,18S,19S)-3',16-dihydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-19-yl]oxy-3,5-dihydroxy-6-methyloxan-4-yl]oxy-6-methyloxane-3,4,5-triol

Names & synonyms

185012-38-8(2S,3R,4R,5R,6S)-2-((2R,3R,4S,5R,6R)-2-((1R,2S,3'R,4S,5'S,6S,7S,8R,9S,12S,13R,16S,18S,19S)-3',16-dihydroxy-5',7,9,13-tetramethylspiro(5-oxapentacyclo(10.8.0.02,9.04,8.013,18)icosane-6,2'-oxane)-19-yl)oxy-3,5-dihydroxy-6-methyloxan-4-yl)oxy-6-methyloxane-3,4,5-triol(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5R,6R)-2-[(1R,2S,3'R,4S,5'S,6S,7S,8R,9S,12S,13R,16S,18S,19S)-3',16-dihydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-19-yl]oxy-3,5-dihydroxy-6-methyloxan-4-yl]oxy-6-methyloxane-3,4,5-triolRefChem:69179(3beta,5alpha,6alpha,23R,25S)-3,23-Dihydroxyspirostan-6-yl 6-deoxy-3-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosideTorvoside Corb2943053DTXSID601109120TN9003(3I(2),5I+/-,6I+/-,23R,25S)-3,23-Dihydroxyspirostan-6-yl 6-deoxy-3-O-(6-deoxy-I+/--L-mannopyranosyl)-I(2)-D-glucopyranoside

Database identifiers

CAS: 185012-38-8
PubChem CID: 102444967
DTXSID: DTXSID601109120

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 197 Å²
Hydrogen bond donors: 7
Hydrogen bond acceptors: 13
Rotatable bonds: 4
Heavy atoms: 52
Formal charge: 0
Complexity: 1,310

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…