AA67853
1415-73-2 | (10S)-1,8-dihydroxy-3-(hydroxymethyl)-10-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-9,10-dihydroanthracen-9-one
Manufacturer: A2B Chem
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CatalogNumber
AA67853
ChemicalName
(10S)-1,8-dihydroxy-3-(hydroxymethyl)-10-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-9,10-dihydroanthracen-9-one
CasNumber
1415-73-2
MolecularFormula
C21H22O9
MolecularWeight
418.39397999999994
MdlNumber
MFCD00151160
Smiles
OCc1cc(O)c2c(c1)[C@@H]([C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)c1c(C2=O)c(O)ccc1
Complexity
630
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
6
HeavyAtomCount
30
HydrogenBondAcceptorCount
9
HydrogenBondDonorCount
7
RotatableBondCount
3
Xlogp3
-0.1
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CatalogNumber: AA67853
ChemicalName: (10S)-1,8-dihydroxy-3-(hydroxymethyl)-10-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-9,10-dihydroanthracen-9-one
CasNumber: 1415-73-2
MolecularFormula: C21H22O9
MolecularWeight: 418.39397999999994
MdlNumber: MFCD00151160
Smiles: OCc1cc(O)c2c(c1)[C@@H]([C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)c1c(C2=O)c(O)ccc1
Complexity: 630
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 6
HeavyAtomCount: 30
HydrogenBondAcceptorCount: 9
HydrogenBondDonorCount: 7
RotatableBondCount: 3
Xlogp3: -0.1
CatalogNumber:
AA67853
ChemicalName:
(10S)-1,8-dihydroxy-3-(hydroxymethyl)-10-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-9,10-dihydroanthracen-9-one
CasNumber:
1415-73-2
MolecularFormula:
C21H22O9
MolecularWeight:
418.39397999999994
MdlNumber:
MFCD00151160
Smiles:
OCc1cc(O)c2c(c1)[C@@H]([C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)c1c(C2=O)c(O)ccc1
Complexity:
630
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
6
HeavyAtomCount:
30
HydrogenBondAcceptorCount:
9
HydrogenBondDonorCount:
7
RotatableBondCount:
3
Xlogp3:
-0.1
CatalogNumber: __
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MolecularFormula: __
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Smiles: CCOC(=O)c1cc(CN)cnc1C(F)F
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Smiles:
CCOC(=O)c1cc(CN)cnc1C(F)F
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DefinedAtomStereocenterCount:
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Smiles: COc1ccccc1B1OCCCO1
Complexity: 171
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__
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Smiles:
COc1ccccc1B1OCCCO1
Complexity:
171
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
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RotatableBondCount:
__
Xlogp3:
__
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MolecularFormula: __
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Smiles: O=Cc1ccccc1B1OCCCO1
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
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__
ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
O=Cc1ccccc1B1OCCCO1
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__