Acutoside D
Basic information
- CAS
135575-16-5- Standard SMILES
CC1OC(OC2C(OC(=O)C34CCC(C)(C)CC3C3=CCC5C6(C)CCC(OC7OC(CO)C(O)C(O)C7OC7OC(CO)C(O)C(O)C7O)C(C)(C)C6CCC5(C)C3(C)CC4)OCC(O)C2O)C(O)C(O)C1OC1OCC(O)C(OC2OCC(O)C(O)C2O)C1O- InChIKey
GGJRZIMZYBAXEM-UHFFFAOYSA-N- Molecular formula
- C63H102O29
- Average molar mass
- 1,323.5 g/mol
- Monoisotopic mass
- 1,322.65067721
Names & identifiers
- Preferred name
- Acutoside D
- IUPAC
- [3-[5-[3,5-dihydroxy-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl] 10-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
Names & synonyms
Acutoside DSCHEMBL29934720DTXSID601098408135575-16-5Olean-12-en-28-oic acid, 3-[(2-O-I(2)-D-glucopyranosyl-I(2)-D-glucopyranosyl)oxy]-, O-I(2)-D-xylopyranosyl-(1a3)-O-I(2)-D-xylopyranosyl-(1a4)-O-6-deoxy-I+/--L-mannopyranosyl-(1a2)-I+/--L-arabinopyranosyl ester, (3I(2))-
Database identifiers
- CAS
135575-16-5- PubChem CID
- 4353789
- DTXSID
DTXSID601098408
Properties
Computed structural properties
- XLogP
- -1.6
- Topological polar surface area
- 452 Ų
- Hydrogen bond donors
- 16
- Hydrogen bond acceptors
- 29
- Rotatable bonds
- 15
- Heavy atoms
- 92
- Formal charge
- 0
- Complexity
- 2,580
Experimental & physicochemical properties
Melting Point260 - 265 °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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