Basic information
- CAS
6891-94-7- Standard SMILES
CC1O[C@H](O[C@H]2CC[C@]3(CO)C4C(O)C[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
BUGNRCRUPAIYMD-RQTNDROZSA-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)-5,11,14,19-tetrahydroxy-
- IUPAC
- 3-[(3S,5S,10R,13R,14S,17R)-5,11,14-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
- English name
- 3β-[(6-Deoxy-α-L-mannopyranosyl)oxy]-5,11α,14,19-tetrahydroxy-5β-card-20(22)-enolide
- Molecular formula
- C29H44O11
- Molecular weight
- 568.65
Names & synonyms
Sarhamnolosid [German]SarhamnolosidSarmentologenin-L-rhamnosidSarmentologenin-L-rhamnosid [German]6891-94-73-beta-((L-Rhamnopyranosyl)oxy)-5,11,14,19-tetrahydroxy-5-beta-card-20(22)-enolide5-beta-Card-20(22)-enolide, 3-beta-((L-rhamnopyranosyl)oxy)-5,11,14,19-tetrahydroxy-RefChem:301358DTXSID909886213-[(6-Deoxyhexopyranosyl)oxy]-5,11,14,19-tetrahydroxycard-20(22)-enolide(8xi,9xi)-3beta-[(6-Deoxy-alpha-D-glycero-hexopyranosyl)oxy]-5,11,14,19-tetrahydroxy-5beta-card-20(22)-enolide3β-[(6-Deoxy-α-L-mannopyranosyl)oxy]-5,11α,14,19-tetrahydroxy-5β-card-20(22)-enolide
Show more names
Card-20(22)-enolide, 3-[(6-deoxy-α-L-mannopyranosyl)oxy]-5,11,14,19-tetrahydroxy-, (3β,5β,11α)-Card-20(22)-enolide, 3-[(6-deoxy-α-L-mannopyranosyl)oxy]-5,11,14,19-tetrahydroxy-, (3β,5β,11α)- (9CI)
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
Physicochemical properties
- Boiling point
- 801.5 · 801.5±65.0 °C(Predicted)
- Density
- 1.46 · 1.46±0.1 g/cm3(Predicted)
- Melting point
- 234 · 234-237 °C
- pka
- 13.04 · 13.04±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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