Cycloastragenol
(1S,3R,6S,8R,9S,11S,12S,14S,15R,16R)-15-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecane-6,9,14-triol
Molecular Identity
Cycloastragenol
(1S,3R,6S,8R,9S,11S,12S,14S,15R,16R)-15-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecane-6,9,14-triol
PubChem CID: 13943286
Cycloastragenol is a sapogenin that is the aglycone derivative of astragaloside IV, a major saponin extracted from the root of Astragalus membranaceus. It has a role as a metabolite. It is a pentacyclic triterpenoid, a sapogenin, a member of oxolanes and a tetrol. It derives from a hydride of a 5alpha-gonane.
2D Structure
Properties
C30H50O5
Molecular Formula
490.70
Molecular Weight
g/mol
490.3658
Exact Mass
Da
4.4
XLogP
Drug-like (Lipinski: < 5)
90.2
TPSA
Good oral absorption (< 140 A²)
4
H-Bond Donors
5
H-Bond Acceptors
916
Complexity
SMILES
Canonical SMILES
SMILES: CC1(C(CCC23C1C(CC4C2(C3)CCC5(C4(CC(C5C6(CCC(O6)C(C)(C)O)C)O)C)C)O)O)CIsomeric SMILES
SMILES: C[C@]12CC[C@@]34C[C@@]35CC[C@@H](C([C@@H]5[C@H](C[C@H]4[C@@]1(C[C@@H]([C@@H]2[C@]6(CC[C@H](O6)C(C)(C)O)C)O)C)O)(C)C)OSynonyms(20)
Cycloastragenol78574-94-4CyclosiversigeninX37D9F2L0VCHEBI:71314J427.606JDTXSID301029686(1S,3R,6S,8R,9S,11S,12S,14S,15R,16R)-15-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecane-6,9,14-triol(3beta,6alpha,9beta,16beta,20R,24S)-20,24-epoxy-9,19-cyclolanostane-3,6,16,25-tetrol(1S,3R,6S,8R,9S,11S,12S,14S,15R,16R)-15-((2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl)-7,7,12,16-tetramethylpentacyclo(9.7.0.01,3.03,8.012,16)octadecane-6,9,14-triolRefChem:9193729,19-Cyclolanostane-3,6,16,25-tetrol, 20,24-epoxy-, (3beta,6alpha,16beta,24R)-DTXCID001514886CyclogalegigeninMFCD24849201
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Cycloastragenol
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