Icariside C(1)
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Basic information
- CAS
108906-50-9- Standard SMILES
C=CC(C)(O)CC/C=C(\C)CCC(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(C)(C)O- InChIKey
PFJDJYAPRBPXLV-LSLVLPQDSA-N- Molecular formula
- C21H38O8
- Average molar mass
- 418.5 g/mol
- Monoisotopic mass
- 418.25666817
Overview
structure given in first source
Names & identifiers
- Preferred name
- Icariside C(1)
- IUPAC
- (2S,3R,4S,5S,6R)-2-[(6E)-2,10-dihydroxy-2,6,10-trimethyldodeca-6,11-dien-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
- English name
- icariside C(1)
- Molecular formula
- C21H38O8
- Molecular weight
- 418.52162
Names & synonyms
Icariside C(1)Icariside C1108906-50-9RefChem:923264(2S,3R,4S,5S,6R)-2-[(6E)-2,10-dihydroxy-2,6,10-trimethyldodeca-6,11-dien-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triolCompound NP-020760orb3171207AKOS040737953T128861beta-D-Glucopyranoside, 8-hydroxy-1-(1-hydroxy-1-methylethyl)-4,8-dimethyl-4,9-decadienyl
Database identifiers
- CAS
108906-50-9- PubChem CID
- 6439265
- Nikkaji
- J2.396.063J
Properties
Computed structural propertiesFilling in
- XLogP
- 0.7
- Topological polar surface area
- 140 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 11
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 549
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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