6-Tuliposide B
PubChem CID: 25034024
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| Compound Synonyms | 6-tuliposide B, CHEBI:87124, 6-O-[(3S)-3,4-Dihydroxy-2-methylenebutanoyl]-D-glucose, 6-O-[(3S)-3,4-dihydroxy-2-methylidenebutanoyl]-D-glucopyranose, [(2R,3S,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl (3S)-3,4-dihydroxy-2-methylidenebutanoate, 6-O-((3S)-3,4-Dihydroxy-2-methylenebutanoyl)-D-glucose, 6-O-((3S)-3,4-dihydroxy-2-methylidenebutanoyl)-D-glucopyranose, ((2R,3S,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl)methyl (3S)-3,4-dihydroxy-2-methylidenebutanoate, C11H18O9, C21186, Q27159388, (2R,3R,4S,5R)-2,3,4,5-Tetrahydroxy-6-oxohexyl (3S)-3,4-dihydroxy-2-methylidenebutanoic acid |
|---|---|
| Topological Polar Surface Area | 157.0 |
| Hydrogen Bond Donor Count | 6.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 358.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 5.0 |
| Iupac Name | [(2R,3S,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl (3S)-3,4-dihydroxy-2-methylidenebutanoate |
| Prediction Hob | 0.0 |
| Xlogp | -3.5 |
| Molecular Formula | C11H18O9 |
| Prediction Swissadme | 0.0 |
| Inchi Key | FMHJNIRDGYFPEC-CHICSPHLSA-N |
| Fcsp3 | 0.7272727272727273 |
| Logs | -0.138 |
| Rotatable Bond Count | 6.0 |
| Logd | -1.71 |
| Compound Name | 6-Tuliposide B |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 294.095 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 294.095 |
| Hydrogen Bond Acceptor Count | 9.0 |
| Molecular Weight | 294.25 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 6.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 0.9366128000000006 |
| Inchi | InChI=1S/C11H18O9/c1-4(5(13)2-12)10(17)19-3-6-7(14)8(15)9(16)11(18)20-6/h5-9,11-16,18H,1-3H2/t5-,6-,7-,8+,9-,11?/m1/s1 |
| Smiles | C=C([C@@H](CO)O)C(=O)OC[C@@H]1[C@H]([C@@H]([C@H](C(O1)O)O)O)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Tulipa Gesneriana (Plant) Rel Props:Source_db:cmaup_ingredients