Pasternoside
PubChem CID: 131752224
Connections displayed (default: 10).
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| Compound Synonyms | Pasternoside |
|---|---|
| Topological Polar Surface Area | 255.0 |
| Hydrogen Bond Donor Count | 9.0 |
| Inchi Key | ZLIPIZSDFWLLOS-UHFFFAOYSA-N |
| Rotatable Bond Count | 8.0 |
| Synonyms | Pasternoside |
| Heavy Atom Count | 44.0 |
| Compound Name | Pasternoside |
| Description | Isolated from Pastinaca sativa (parsnip). Isorhamnetin 3-O-b-D-glucofuranoside 4'-O-a-L-rhamnopyranoside is found in parsnip and root vegetables. |
| Exact Mass | 624.169 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 624.169 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 1040.0 |
| Hydrogen Bond Acceptor Count | 16.0 |
| Molecular Weight | 624.5 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-[5-(1,2-dihydroxyethyl)-3,4-dihydroxyoxolan-2-yl]oxy-5,7-dihydroxy-2-[3-methoxy-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyphenyl]chromen-4-one |
| Total Atom Stereocenter Count | 10.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C28H32O16/c1-9-18(33)20(35)22(37)27(40-9)42-14-4-3-10(5-15(14)39-2)24-26(19(34)17-12(31)6-11(30)7-16(17)41-24)44-28-23(38)21(36)25(43-28)13(32)8-29/h3-7,9,13,18,20-23,25,27-33,35-38H,8H2,1-2H3 |
| Smiles | CC1C(C(C(C(O1)OC2=C(C=C(C=C2)C3=C(C(=O)C4=C(C=C(C=C4O3)O)O)OC5C(C(C(O5)C(CO)O)O)O)OC)O)O)O |
| Xlogp | -0.6 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C28H32O16 |
- 1. Outgoing r'ship
FOUND_INto/from Pastinaca Sativa (Plant) Rel Props:Source_db:fooddb_chem_all