(+)-Basellasaponin D
PubChem CID: 85203881
Connections displayed (default: 10).
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| Compound Synonyms | (+)-Basellasaponin D |
|---|---|
| Topological Polar Surface Area | 352.0 |
| Hydrogen Bond Donor Count | 10.0 |
| Inchi Key | XRPQKQDVGUZFQR-UHFFFAOYSA-N |
| Rotatable Bond Count | 12.0 |
| Synonyms | (+)-Basellasaponin D, Basellasaponin D |
| Heavy Atom Count | 69.0 |
| Compound Name | (+)-Basellasaponin D |
| Description | Constituent of Basella rubra (Malabar spinach). Basellasaponin D is found in green vegetables and malabar spinach. |
| Exact Mass | 984.42 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 984.42 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 2100.0 |
| Hydrogen Bond Acceptor Count | 22.0 |
| Molecular Weight | 985.0 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 7-[[11-carboxy-4,4,6a,6b,11,14b-hexamethyl-8a-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-2-(carboxymethoxy)-3,8-dihydroxy-2,4a,5,7,8,8a-hexahydropyrano[3,4-b][1,4]dioxine-3,5-dicarboxylic acid |
| Total Atom Stereocenter Count | 21.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C47H68O22/c1-41(2)23-9-12-45(6)24(43(23,4)11-10-25(41)65-36-30(54)31-32(33(66-36)34(55)56)69-47(62,38(59)60)40(67-31)63-19-26(49)50)8-7-20-21-17-42(3,37(57)58)13-15-46(21,16-14-44(20,45)5)39(61)68-35-29(53)28(52)27(51)22(18-48)64-35/h7,21-25,27-33,35-36,40,48,51-54,62H,8-19H2,1-6H3,(H,49,50)(H,55,56)(H,57,58)(H,59,60) |
| Smiles | CC1(C2CCC3(C(C2(CCC1OC4C(C5C(C(O4)C(=O)O)OC(C(O5)OCC(=O)O)(C(=O)O)O)O)C)CC=C6C3(CCC7(C6CC(CC7)(C)C(=O)O)C(=O)OC8C(C(C(C(O8)CO)O)O)O)C)C)C |
| Xlogp | 1.4 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C47H68O22 |
- 1. Outgoing r'ship
FOUND_INto/from Basella Rubra (Plant) Rel Props:Source_db:fooddb_chem_all