ST 29:2
PubChem CID: 12895771
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| Compound Synonyms | ST 29:2, O, Hex, Poriferasterol monoglucoside, 19716-26-8, 2-[[17-[(E)-5-ethyl-6-methylhept-3-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 |
|---|---|
| Topological Polar Surface Area | 99.4 |
| Hydrogen Bond Donor Count | 4.0 |
| Inchi Key | VWDLOXMZIGUBKM-CMDGGOBGSA-N |
| Rotatable Bond Count | 8.0 |
| Synonyms | (3b,22E,24S)-Stigmasta-5,22-dien-3-ol 3-glucoside, (3b,22E,24S)-Stigmasta-5,22-dien-3-ol 3-O-b-D-glucopyranoside, (3b,22E,24S)-Stigmasta-5,22-dien-3-ol 3-O-b-D-glucoside, Poriferasterol monoglucoside, Serposterol 3-glucoside, Stigmasterol 3-glucoside, Stigmasteryl glucoside, Stigmasteryl-3-O-beta-D-glucopyranoside, Substance F |
| Heavy Atom Count | 41.0 |
| Compound Name | ST 29:2, O, Hex |
| Description | Isolated from soya bean oil (Glycine max). Stigmasteryl glucoside is found in fats and oils, pulses, and cloves. |
| Exact Mass | 574.423 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 574.423 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 962.0 |
| 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-[(E)-5-ethyl-6-methylhept-3-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 | 1.0 |
| 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/h8-10,20-22,24-33,36-39H,7,11-19H2,1-6H3/b9-8+ |
| Smiles | CCC(/C=C/C(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC5C(C(C(C(O5)CO)O)O)O)C)C)C(C)C |
| Xlogp | 7.0 |
| Defined Bond Stereocenter Count | 1.0 |
| Molecular Formula | C35H58O6 |
- 1. Outgoing r'ship
FOUND_INto/from Syzygium Aromaticum (Plant) Rel Props:Source_db:fooddb_chem_all