Pisumsaponin I
PubChem CID: 85194431
Connections displayed (default: 10).
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| Compound Synonyms | Pisumsaponin I, (+)-Pisumsaponin I, CHEBI:192232, Soyasapogenol B + dHex + Hex + HexA + malonyl, 6-[[9-(2-carboxyacetyl)oxy-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-[4,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-3,4-dihydroxyoxane-2-carboxylic acid |
|---|---|
| Topological Polar Surface Area | 338.0 |
| Hydrogen Bond Donor Count | 11.0 |
| Inchi Key | UZZVCPOZXWRBFO-UHFFFAOYSA-N |
| Rotatable Bond Count | 13.0 |
| Synonyms | (+)-Pisumsaponin I, Pisumsaponin I |
| Heavy Atom Count | 72.0 |
| Compound Name | Pisumsaponin I |
| Description | Constituent of garden pea Pisum sativum. Pisumsaponin I is found in pulses and common pea. |
| Exact Mass | 1028.52 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 1028.52 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 2050.0 |
| Hydrogen Bond Acceptor Count | 21.0 |
| Molecular Weight | 1029.2 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6-[[9-(2-carboxyacetyl)oxy-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-[4,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-3,4-dihydroxyoxane-2-carboxylic acid |
| Total Atom Stereocenter Count | 25.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C51H80O21/c1-22-32(57)34(59)38(63)43(66-22)71-40-35(60)33(58)25(20-52)67-44(40)72-41-37(62)36(61)39(42(64)65)70-45(41)69-28-12-13-48(5)26(49(28,6)21-53)11-14-51(8)27(48)10-9-23-24-18-46(2,3)19-29(68-31(56)17-30(54)55)47(24,4)15-16-50(23,51)7/h9,22,24-29,32-41,43-45,52-53,57-63H,10-21H2,1-8H3,(H,54,55)(H,64,65) |
| Smiles | CC1C(C(C(C(O1)OC2C(C(C(OC2OC3C(C(C(OC3OC4CCC5(C(C4(C)CO)CCC6(C5CC=C7C6(CCC8(C7CC(CC8OC(=O)CC(=O)O)(C)C)C)C)C)C)C(=O)O)O)O)CO)O)O)O)O)O |
| Xlogp | 2.6 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C51H80O21 |
- 1. Outgoing r'ship
FOUND_INto/from Pisum Sativum (Plant) Rel Props:Source_db:fooddb_chem_all