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Name:  Corchoionoside C
Molecular weight:  386.437 g/mol
Molecular formula:  C19H30O8
Hydrogen bond donor count:  5
Hydrogen bond acceptor count:  8
Rotatable bond count:  5
Tautomer count:  5
Topological polar surface area:  137
XlogP:  -0.9
Canonical SMILES:
CC1=CC(=O)CC(C1(C=CC(C)OC2C(C(C(C(O2)CO)O)O)O)O)(C)C
Isomeric SMILES:
CC1=CC(=O)CC([C@]1(C=C[C@H](C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)(C)C
IUPAC name:
(4S)-4-hydroxy-3,5,5-trimethyl-4-[(E,3S)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybut-1-enyl]c
yclohex-2-en-1-one
InChI:
InChI=1/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,
8-9H2,1-4H3/b6-5+/t11-,13+,14+,15-,16+,17+,19+/m0/s1
PubChem Compound ID:  10317980
MappedID:  2721523
Synonyms:
Corchoionoside C; Roseoside £¨³¤ÊÙ»¨ÌÇÜÕ£©
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