AI50961
481-53-8 | Tangeretin
Manufacturer: A2B Chem
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CatalogNumber
AI50961
ChemicalName
Tangeretin
CasNumber
481-53-8
MolecularFormula
C20H20O7
MolecularWeight
372.3686
MdlNumber
MFCD00017438
Smiles
COc1ccc(cc1)c1cc(=O)c2c(o1)c(OC)c(c(c2OC)OC)OC
Complexity
540
Covalently-bondedUnitCount
1
HeavyAtomCount
27
HydrogenBondAcceptorCount
7
RotatableBondCount
6
Xlogp3
3
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CatalogNumber: AI50961
ChemicalName: Tangeretin
CasNumber: 481-53-8
MolecularFormula: C20H20O7
MolecularWeight: 372.3686
MdlNumber: MFCD00017438
Smiles: COc1ccc(cc1)c1cc(=O)c2c(o1)c(OC)c(c(c2OC)OC)OC
Complexity: 540
Covalently-bondedUnitCount: 1
HeavyAtomCount: 27
HydrogenBondAcceptorCount: 7
RotatableBondCount: 6
Xlogp3: 3
CatalogNumber:
AI50961
ChemicalName:
Tangeretin
CasNumber:
481-53-8
MolecularFormula:
C20H20O7
MolecularWeight:
372.3686
MdlNumber:
MFCD00017438
Smiles:
COc1ccc(cc1)c1cc(=O)c2c(o1)c(OC)c(c(c2OC)OC)OC
Complexity:
540
Covalently-bondedUnitCount:
1
HeavyAtomCount:
27
HydrogenBondAcceptorCount:
7
RotatableBondCount:
6
Xlogp3:
3
CatalogNumber: AI50962
ChemicalName: Aloe-emodin
CasNumber: 481-72-1
MolecularFormula: C15H10O5
MolecularWeight: 270.2369
MdlNumber: MFCD00017373
Smiles: OCc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)ccc1
Complexity: 421
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 5
RotatableBondCount: 1
Xlogp3: 1.8
CatalogNumber:
AI50962
ChemicalName:
Aloe-emodin
CasNumber:
481-72-1
MolecularFormula:
C15H10O5
MolecularWeight:
270.2369
MdlNumber:
MFCD00017373
Smiles:
OCc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)ccc1
Complexity:
421
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
5
RotatableBondCount:
1
Xlogp3:
1.8
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Smiles: IC[C@H](C(=C)I)C
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Smiles:
IC[C@H](C(=C)I)C
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: CCOC(=O)c1cnc2c(c1)ccc(c2)C
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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__
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
CCOC(=O)c1cnc2c(c1)ccc(c2)C
Complexity:
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Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__