AB51622
3681-99-0 | 7-hydroxy-3-(4-hydroxyphenyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-4-one
Manufacturer: A2B Chem
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CatalogNumber
AB51622
ChemicalName
7-hydroxy-3-(4-hydroxyphenyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-4-one
CasNumber
3681-99-0
MolecularFormula
C21H20O9
MolecularWeight
416.3781
MdlNumber
MFCD00063399
Smiles
OC[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)c1c(O)ccc2c1occ(c2=O)c1ccc(cc1)O
Complexity
659
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
5
HeavyAtomCount
30
HydrogenBondAcceptorCount
9
HydrogenBondDonorCount
6
RotatableBondCount
3
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CatalogNumber: AB51622
ChemicalName: 7-hydroxy-3-(4-hydroxyphenyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-4-one
CasNumber: 3681-99-0
MolecularFormula: C21H20O9
MolecularWeight: 416.3781
MdlNumber: MFCD00063399
Smiles: OC[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)c1c(O)ccc2c1occ(c2=O)c1ccc(cc1)O
Complexity: 659
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 5
HeavyAtomCount: 30
HydrogenBondAcceptorCount: 9
HydrogenBondDonorCount: 6
RotatableBondCount: 3
CatalogNumber:
AB51622
ChemicalName:
7-hydroxy-3-(4-hydroxyphenyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-4-one
CasNumber:
3681-99-0
MolecularFormula:
C21H20O9
MolecularWeight:
416.3781
MdlNumber:
MFCD00063399
Smiles:
OC[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)c1c(O)ccc2c1occ(c2=O)c1ccc(cc1)O
Complexity:
659
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
5
HeavyAtomCount:
30
HydrogenBondAcceptorCount:
9
HydrogenBondDonorCount:
6
RotatableBondCount:
3
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Smiles: COc1ccc(cc1)c1cc(=O)c2c(o1)c(c(cc2O)O)c1cc(ccc1OC)c1cc(=O)c2c(o1)cc(cc2O)OC
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Smiles:
COc1ccc(cc1)c1cc(=O)c2c(o1)c(c(cc2O)O)c1cc(ccc1OC)c1cc(=O)c2c(o1)cc(cc2O)OC
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Smiles: Oc1cc2O[C@@H](CC(=O)c2c(c1)O)c1ccc(c(c1)O)O
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Smiles:
Oc1cc2O[C@@H](CC(=O)c2c(c1)O)c1ccc(c(c1)O)O
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Smiles: F[C@H]1CNC[C@@H]1NC(=O)OC(C)(C)C
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Smiles:
F[C@H]1CNC[C@@H]1NC(=O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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