Baccharis principle B-1 (B800157F246 and K380)
(1R,3R,6S,8R,18E,20Z,24R,25S,26R)-6,14-dihydroxy-17-(1-hydroxyethyl)-5,13,25-trimethylspiro[2,10,16,23-tetraoxatetracyclo[22.2.1.03,8.08,25]heptacosa-4,18,20-triene-26,2'-oxirane]-11,22-dione
Molecular Identity
Baccharis principle B-1 (B800157F246 and K380)
(1R,3R,6S,8R,18E,20Z,24R,25S,26R)-6,14-dihydroxy-17-(1-hydroxyethyl)-5,13,25-trimethylspiro[2,10,16,23-tetraoxatetracyclo[22.2.1.03,8.08,25]heptacosa-4,18,20-triene-26,2'-oxirane]-11,22-dione
PubChem CID: 5352030
2D Structure
Properties
C29H40O10
Molecular Formula
548.60
Molecular Weight
g/mol
548.2621
Exact Mass
Da
0.7
XLogP
Drug-like (Lipinski: < 5)
144
TPSA
May have limited oral absorption
3
H-Bond Donors
10
H-Bond Acceptors
1070
Complexity
SMILES
Canonical SMILES
SMILES: CC1CC(=O)OCC23CC(C(=CC2OC4CC(C3(C45CO5)C)OC(=O)C=CC=CC(OCC1O)C(C)O)C)OIsomeric SMILES
SMILES: CC1CC(=O)OC[C@]23C[C@@H](C(=C[C@H]2O[C@@H]4C[C@H]([C@]3([C@@]45CO5)C)OC(=O)/C=C\C=C\C(OCC1O)C(C)O)C)OSynonyms(8)
NSC269753BACCHARIS PRINCIPLE B-1 (B800157F246 AND K380)Verrucarin A,8-dihydroxy-7'-(1-hydroxyethyl)-7'-DEOXO-2'-DEOXY-4',8-DIHYDROXY-7'-(1-HYDROXYETHYL)VERRUCARIN ASCHEMBL31237992B1NSC-269753B800157F246
Data from PubChem (NCBI)
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Molecular Structure
Baccharis principle B-1 (B800157F246 and K380)
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Drug Network
Trials and conditions connected to Baccharis principle B-1 (B800157F246 and K380)
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