Basic information
- CAS
259795-17-0- Standard SMILES
CC(C)=CCCC(C)(OC1OC(CO)C(O)C(O)C1OC1OCC(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC12C- InChIKey
IFSJMEMWKHAUOE-UHFFFAOYSA-N- Molecular formula
- C47H80O17
- Average molar mass
- 917.1 g/mol
- Monoisotopic mass
- 916.53955108
Names & identifiers
- Preferred name
- Protopanaxadiol 3-glucoside 20-[arabinosyl-(1->2)-glucoside]
- IUPAC
- 2-[[17-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-6-methylhept-5-en-2-yl]-12-hydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Names & synonyms
Protopanaxadiol 3-glucoside 20-[arabinosyl-(1->2)-glucoside]
Database identifiers
- CAS
259795-17-0- PubChem CID
- 85263166
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 278 Ų
- Hydrogen bond donors
- 11
- Hydrogen bond acceptors
- 17
- Rotatable bonds
- 12
- Heavy atoms
- 64
- Formal charge
- 0
- Complexity
- 1,630
Experimental & physicochemical properties
Melting Point189 - 192 °C
Physical DescriptionSolid
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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