AI45447
22888-70-6 | (2R,3R)-3,5,7-trihydroxy-2-[(2R,3R)-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-3,4-dihydro-2H-1-benzopyran-4-one
Manufacturer: A2B Chem
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CatalogNumber
AI45447
ChemicalName
(2R,3R)-3,5,7-trihydroxy-2-[(2R,3R)-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-3,4-dihydro-2H-1-benzopyran-4-one
CasNumber
22888-70-6
MolecularFormula
C25H22O10
MolecularWeight
482.4362
MdlNumber
MFCD00872186
Smiles
OC[C@H]1Oc2ccc(cc2O[C@@H]1c1ccc(c(c1)OC)O)[C@H]1Oc2cc(O)cc(c2C(=O)[C@@H]1O)O
NscNumber
651520
Complexity
750
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
4
HeavyAtomCount
35
HydrogenBondAcceptorCount
10
HydrogenBondDonorCount
5
RotatableBondCount
4
Xlogp3
2.4
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CatalogNumber: AI45447
ChemicalName: (2R,3R)-3,5,7-trihydroxy-2-[(2R,3R)-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-3,4-dihydro-2H-1-benzopyran-4-one
CasNumber: 22888-70-6
MolecularFormula: C25H22O10
MolecularWeight: 482.4362
MdlNumber: MFCD00872186
Smiles: OC[C@H]1Oc2ccc(cc2O[C@@H]1c1ccc(c(c1)OC)O)[C@H]1Oc2cc(O)cc(c2C(=O)[C@@H]1O)O
NscNumber: 651520
Complexity: 750
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 4
HeavyAtomCount: 35
HydrogenBondAcceptorCount: 10
HydrogenBondDonorCount: 5
RotatableBondCount: 4
Xlogp3: 2.4
CatalogNumber:
AI45447
ChemicalName:
(2R,3R)-3,5,7-trihydroxy-2-[(2R,3R)-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-3,4-dihydro-2H-1-benzopyran-4-one
CasNumber:
22888-70-6
MolecularFormula:
C25H22O10
MolecularWeight:
482.4362
MdlNumber:
MFCD00872186
Smiles:
OC[C@H]1Oc2ccc(cc2O[C@@H]1c1ccc(c(c1)OC)O)[C@H]1Oc2cc(O)cc(c2C(=O)[C@@H]1O)O
NscNumber:
651520
Complexity:
750
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
4
HeavyAtomCount:
35
HydrogenBondAcceptorCount:
10
HydrogenBondDonorCount:
5
RotatableBondCount:
4
Xlogp3:
2.4
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Smiles: CCCNc1sc(c(n1)C)C(=O)OCC
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CCCNc1sc(c(n1)C)C(=O)OCC
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Smiles: [O-][N+](=O)c1ccc2c(n1)[nH]c(=O)[nH]2
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[O-][N+](=O)c1ccc2c(n1)[nH]c(=O)[nH]2
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Smiles: n1ccc(cc1)c1noc(n1)C1CC1
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n1ccc(cc1)c1noc(n1)C1CC1
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