Basic information
- CAS
142997-34-0- Standard SMILES
CC1OC(Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)C(OC2OC(COC(=O)/C=C/c3ccc(OC4OC(CO)C(O)C(O)C4O)cc3)C(O)C(O)C2O)C(O)C1O- InChIKey
IYWSDKILEAGLBX-NYYWCZLTSA-N- Molecular formula
- C42H46O22
- Average molar mass
- 902.8 g/mol
- Monoisotopic mass
- 902.24807309
Names & identifiers
- Preferred name
- [6-[2-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoate
- IUPAC
- [6-[2-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoate
Names & synonyms
Kaempferol 3-(6-[4-glucosyl-p-coumaryl]glucosyl)(1->2)-rhamnoside
Database identifiers
- CAS
142997-34-0- PubChem CID
- 131752829
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 351 Ų
- Hydrogen bond donors
- 12
- Hydrogen bond acceptors
- 22
- Rotatable bonds
- 13
- Heavy atoms
- 64
- Formal charge
- 0
- Complexity
- 1,630
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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