(2alpha,3beta,5alpha,25R)-2-Hydroxyspirostan-3-yl O-beta-D-glucopyranosyl-(1->2)-O-(beta-D-glucopyranosyl-(1->3))-O-beta-D-glucopyranosyl-(1->4)-O-beta-D-galactopyranosyl-(1->3)-beta-D-glucopyranoside
PubChem CID: 74029657
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Capsicosin, 54963-35-8, (2alpha,3beta,5alpha,25R)-2-Hydroxyspirostan-3-yl O-beta-D-glucopyranosyl-(1->2)-O-(beta-D-glucopyranosyl-(1->3))-O-beta-D-glucopyranosyl-(1->4)-O-beta-D-galactopyranosyl-(1->3)-beta-D-glucopyranoside, (2alpha,3beta,5alpha,25R)-2-Hydroxyspirostan-3-yl O-beta-D-glucopyranosyl-(1->2)-O-[beta-D-glucopyranosyl-(1->3)]-O-beta-D-glucopyranosyl-(1->4)-O-beta-D-galactopyranosyl-(1->3)-beta-D-glucopyranoside, DTXSID501099146, (2I+/-,3I(2),5I+/-,25R)-2-Hydroxyspirostan-3-yl O-I(2)-D-glucopyranosyl-(1a2)-O-[I(2)-D-glucopyranosyl-(1a3)]-O-I(2)-D-glucopyranosyl-(1a4)-O-I(2)-D-galactopyranosyl-(1a3)-I(2)-D-glucopyranoside |
|---|---|
| Topological Polar Surface Area | 455.0 |
| Hydrogen Bond Donor Count | 17.0 |
| Heavy Atom Count | 86.0 |
| Description | Constituent of Capsicum annuum root. Capsicosin is found in many foods, some of which are green bell pepper, fruits, herbs and spices, and red bell pepper. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 2250.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-[2-[6-[3,5-dihydroxy-2-(hydroxymethyl)-6-(15-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl)oxyoxan-4-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol |
| Nih Violation | True |
| Class | Steroids and steroid derivatives |
| Xlogp | -3.0 |
| Superclass | Lipids and lipid-like molecules |
| Is Pains | False |
| Subclass | Steroidal glycosides |
| Molecular Formula | C57H94O29 |
| Inchi Key | RZWGPDBWOSUYCQ-UHFFFAOYSA-N |
| Rotatable Bond Count | 15.0 |
| State | Solid |
| Synonyms | Capsicosin |
| Compound Name | (2alpha,3beta,5alpha,25R)-2-Hydroxyspirostan-3-yl O-beta-D-glucopyranosyl-(1->2)-O-(beta-D-glucopyranosyl-(1->3))-O-beta-D-glucopyranosyl-(1->4)-O-beta-D-galactopyranosyl-(1->3)-beta-D-glucopyranoside |
| Kingdom | Organic compounds |
| Exact Mass | 1242.59 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 1242.59 |
| Hydrogen Bond Acceptor Count | 29.0 |
| Molecular Weight | 1243.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 38.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C57H94O29/c1-20-7-10-57(75-19-20)21(2)34-28(86-57)12-25-23-6-5-22-11-27(26(63)13-56(22,4)24(23)8-9-55(25,34)3)76-53-45(74)47(37(66)31(16-60)79-53)83-52-44(73)41(70)46(33(18-62)81-52)82-54-49(85-51-43(72)40(69)36(65)30(15-59)78-51)48(38(67)32(17-61)80-54)84-50-42(71)39(68)35(64)29(14-58)77-50/h20-54,58-74H,5-19H2,1-4H3 |
| Smiles | CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CC(C(C6)OC7C(C(C(C(O7)CO)O)OC8C(C(C(C(O8)CO)OC9C(C(C(C(O9)CO)O)OC2C(C(C(C(O2)CO)O)O)O)OC2C(C(C(C(O2)CO)O)O)O)O)O)O)O)C)C)C)OC1 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Steroidal saponins |
- 1. Outgoing r'ship
FOUND_INto/from Capsicum Annuum (Plant) Rel Props:Source_db:fooddb_chem_all