Homodolicholide
PubChem CID: 13517130
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| Compound Synonyms | Homodolicholide, 28-Homodolicholide, CHEBI:168025, 2a,3a,22R,23R-Tetrahydroxy-B-homo-7-oxa-5a-stigmast-24(28)-en-6-one, 15-[(E)-3,4-dihydroxy-5-propan-2-ylhept-5-en-2-yl]-4,5-dihydroxy-2,16-dimethyl-9-oxatetracyclo[9.7.0.02,7.012,16]octadecan-8-one |
|---|---|
| Topological Polar Surface Area | 107.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Inchi Key | LRRBQWHWKJDDAW-REZTVBANSA-N |
| Rotatable Bond Count | 5.0 |
| Synonyms | 28-Homodolicholide, 2a,3a,22R,23R-Tetrahydroxy-B-homo-7-oxa-5a-stigmast-24(28)-en-6-one |
| Heavy Atom Count | 35.0 |
| Compound Name | Homodolicholide |
| Description | Constituent of Dolichos lablab (hyacinth bean). Homodolicholide is found in hyacinth bean and pulses. |
| Exact Mass | 492.345 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 492.345 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 824.0 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 492.7 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 15-[(E)-3,4-dihydroxy-5-propan-2-ylhept-5-en-2-yl]-4,5-dihydroxy-2,16-dimethyl-9-oxatetracyclo[9.7.0.02,7.012,16]octadecan-8-one |
| Total Atom Stereocenter Count | 12.0 |
| Total Bond Stereocenter Count | 1.0 |
| Inchi | InChI=1S/C29H48O6/c1-7-17(15(2)3)26(33)25(32)16(4)19-8-9-20-18-14-35-27(34)22-12-23(30)24(31)13-29(22,6)21(18)10-11-28(19,20)5/h7,15-16,18-26,30-33H,8-14H2,1-6H3/b17-7+ |
| Smiles | C/C=C(\C(C)C)/C(C(C(C)C1CCC2C1(CCC3C2COC(=O)C4C3(CC(C(C4)O)O)C)C)O)O |
| Xlogp | 4.9 |
| Defined Bond Stereocenter Count | 1.0 |
| Molecular Formula | C29H48O6 |
- 1. Outgoing r'ship
FOUND_INto/from Dolichos Lablab (Plant) Rel Props:Source_db:fooddb_chem_all