Alloside B
Basic information
- CAS
142735-55-5- Standard SMILES
CC(C)CCC(O)[C@@H](C)[C@H]1[C@H](O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)CC2C3CC=C4CC(O)CC(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@]4(C)C3CC[C@@]21C- InChIKey
JPJDIOVDAAVUNF-VQEDGKDMSA-N- Molecular formula
- C39H66O14
- Average molar mass
- 758.9 g/mol
- Monoisotopic mass
- 758.44525677
Overview
Alloside B has been reported in Allium stipitatum and Allium suworowii with data available.
Names & identifiers
- Preferred name
- Alloside B
- IUPAC
- (2S,3R,4S,5R,6R)-2-[[(10R,13S,16R,17R)-3-hydroxy-17-[(2S)-3-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-16-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Names & synonyms
Alloside B142735-55-5beta-D-Galactopyranoside, (1-beta,3-beta,16-beta,22S)-1-(beta-D-glucopyranosyloxy)-3,22-dihydroxycholest-5-en-16-yl(2S,3R,4S,5R,6R)-2-[[(10R,13S,16R,17R)-3-hydroxy-17-[(2S)-3-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-16-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol(2S,3R,4S,5R,6R)-2-(((10R,13S,16R,17R)-3-hydroxy-17-((2S)-3-hydroxy-6-methylheptan-2-yl)-10,13-dimethyl-1-((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta(a)phenanthren-16-yl)oxy)-6-(hydroxymethyl)oxane-3,4,5-triolRefChem:110842SCHEMBL30742833
Database identifiers
- CAS
142735-55-5- PubChem CID
- 3072500
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 239 Ų
- Hydrogen bond donors
- 10
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 11
- Heavy atoms
- 53
- Formal charge
- 0
- Complexity
- 1,270
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…