Basic information
- CAS
102280-99-9- Standard SMILES
CC1O[C@H](O[C@H]2CC[C@]3(CO)C4C[C@@H](O)[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)C4CC[C@]3(O)C2)C(O)C(O)[C@@H]1O- InChIKey
KYNXIMRHBXPXLL-IXMYJFJASA-N- Molecular formula
- C29H44O11
- Average molar mass
- 568.7 g/mol
- Monoisotopic mass
- 568.28836222
Names & identifiers
- Preferred name
- 5-beta-Card-20(22)enolide, 3-beta-((L-rhamnopyranosyl)oxy)-5,12-beta,14,19-tetrahydroxy-
- IUPAC
- 3-[(3S,5S,10R,12R,13S,14S,17R)-5,12,14-trihydroxy-10-(hydroxymethyl)-13-methyl-3-[(2S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
Names & synonyms
102280-99-93-beta-((L-Rhamnopyranosyl)oxy)-5,12-beta,14,19-tetrahydroxy-5-beta-card-20(22)enolide5-beta-Card-20(22)enolide, 3-beta-((L-rhamnopyranosyl)oxy)-5,12-beta,14,19-tetrahydroxy-RefChem:301363AL-Dihydro-beta-antiarin [German]AL-Dihydro-beta-antiarinDTXSID109073343-[(6-Deoxyhexopyranosyl)oxy]-5,12,14,19-tetrahydroxycard-20(22)-enolide(8xi,9xi)-3beta-[(6-Deoxy-alpha-D-glycero-hexopyranosyl)oxy]-5,12beta,14,19-tetrahydroxy-5beta-card-20(22)-enolide
Database identifiers
- CAS
102280-99-9- PubChem CID
- 59290
- DTXSID
DTXSID10907334
Properties
Computed structural properties
- XLogP
- -1.8
- Topological polar surface area
- 186 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 4
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 1,050
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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