Clerosterol 3-glucoside
PubChem CID: 14311739
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| Compound Synonyms | Clerosterol 3-glucoside, 2-[[17-(5-ethyl-6-methylhept-6-en-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol, 2-{[14-(5-ethyl-6-methylhept-6-en-2-yl)-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-en-5-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol, 2-((14-(5-ethyl-6-methylhept-6-en-2-yl)-2,15-dimethyltetracyclo(8.7.0.0^(2,7).0^(11,15))heptadec-7-en-5-yl)oxy)-6-(hydroxymethyl)oxane-3,4,5-triol, 2-((17-(5-ethyl-6-methylhept-6-en-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta(a)phenanthren-3-yl)oxy)-6-(hydroxymethyl)oxane-3,4,5-triol, CHEBI:176232, LMST01040254 |
|---|---|
| Topological Polar Surface Area | 99.4 |
| Hydrogen Bond Donor Count | 4.0 |
| Inchi Key | FKZKAGYCKXYXKP-UHFFFAOYSA-N |
| Rotatable Bond Count | 9.0 |
| Synonyms | (3b,24S)-Stigmasta-5,25-dien-3-ol 3-glucoside, (3b,24S)-Stigmasta-5,25-dien-3-ol 3-O-b-D-glucopyranoside, (3b,24S)-Stigmasta-5,25-dien-3-ol 3-O-b-D-glucoside, 10H-Phenothiastannin, 10,10-dimethyl-5,5-dioxide, 10H-Phenothiastannin,10,10-dimethyl-5,5-dioxide, Clerosterol 3-glucoside |
| Heavy Atom Count | 41.0 |
| Compound Name | Clerosterol 3-glucoside |
| Description | Isolated from fruits of bitter melon (Momordica charantia). Clerosterol 3-glucoside is found in bitter gourd and fruits. |
| Exact Mass | 574.423 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 574.423 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 964.0 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 574.8 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-[[17-(5-ethyl-6-methylhept-6-en-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol |
| Total Atom Stereocenter Count | 14.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C35H58O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,21-22,24-33,36-39H,2,7-9,11-19H2,1,3-6H3 |
| Smiles | CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC5C(C(C(C(O5)CO)O)O)O)C)C)C(=C)C |
| Xlogp | 7.7 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C35H58O6 |
- 1. Outgoing r'ship
FOUND_INto/from Momordica Charantia (Plant) Rel Props:Source_db:fooddb_chem_all