Molecules/(2S,3R)-7-[(2R)-butan-2-yl]-3-[(1S,3S,4R)-3,4-dihydroxy-1-methoxy-2-oxopentyl]-2,6,8,9-tetrahydroxy-3,4-dihydro-2H-anthracen-1-one
(2S,3R)-7-[(2R)-butan-2-yl]-3-[(1S,3S,4R)-3,4-dihydroxy-1-methoxy-2-oxopentyl]-2,6,8,9-tetrahydroxy-3,4-dihydro-2H-anthracen-1-one
(2S,3R)-7-[(2R)-butan-2-yl]-3-[(1S,3S,4R)-3,4-dihydroxy-1-methoxy-2-oxopentyl]-2,6,8,9-tetrahydroxy-3,4-dihydro-2H-anthracen-1-one
Molecular Identity
(2S,3R)-7-[(2R)-butan-2-yl]-3-[(1S,3S,4R)-3,4-dihydroxy-1-methoxy-2-oxopentyl]-2,6,8,9-tetrahydroxy-3,4-dihydro-2H-anthracen-1-one
(2S,3R)-7-[(2R)-butan-2-yl]-3-[(1S,3S,4R)-3,4-dihydroxy-1-methoxy-2-oxopentyl]-2,6,8,9-tetrahydroxy-3,4-dihydro-2H-anthracen-1-one
PubChem CID: 11987654
2D Structure
Properties
C24H30O9
Molecular Formula
462.50
Molecular Weight
g/mol
462.1890
Exact Mass
Da
2.5
XLogP
Drug-like (Lipinski: < 5)
165
TPSA
May have limited oral absorption
6
H-Bond Donors
9
H-Bond Acceptors
714
Complexity
SMILES
Canonical SMILES
SMILES: CCC(C)C1=C(C2=C(C3=C(CC(C(C3=O)O)C(C(=O)C(C(C)O)O)OC)C=C2C=C1O)O)OIsomeric SMILES
SMILES: CC[C@@H](C)C1=C(C2=C(C3=C(C[C@H]([C@@H](C3=O)O)[C@@H](C(=O)[C@H]([C@@H](C)O)O)OC)C=C2C=C1O)O)OSynonyms(1)
DXA
Data from PubChem (NCBI)
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Molecular Structure
(2S,3R)-7-[(2R)-butan-2-yl]-3-[(1S,3S,4R)-3,4-dihydroxy-1-methoxy-2-oxopentyl]-2,6,8,9-tetrahydroxy-3,4-dihydro-2H-anthracen-1-one
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Drug Network
Trials and conditions connected to (2S,3R)-7-[(2R)-butan-2-yl]-3-[(1S,3S,4R)-3,4-dihydroxy-1-methoxy-2-oxopentyl]-2,6,8,9-tetrahydroxy-3,4-dihydro-2H-anthracen-1-one
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