AG69450
62596-29-6 | Morusin
Manufacturer: A2B Chem
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CatalogNumber
AG69450
ChemicalName
Morusin
CasNumber
62596-29-6
MolecularFormula
C25H24O6
MolecularWeight
420.4545
MdlNumber
MFCD09953814
Smiles
CC(=CCc1c(oc2c(c1=O)c(O)cc1c2C=CC(O1)(C)C)c1ccc(cc1O)O)C
NscNumber
649220
Complexity
805
Covalently-bondedUnitCount
1
HeavyAtomCount
31
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
3
RotatableBondCount
3
Xlogp3
5.5
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CatalogNumber: AG69450
ChemicalName: Morusin
CasNumber: 62596-29-6
MolecularFormula: C25H24O6
MolecularWeight: 420.4545
MdlNumber: MFCD09953814
Smiles: CC(=CCc1c(oc2c(c1=O)c(O)cc1c2C=CC(O1)(C)C)c1ccc(cc1O)O)C
NscNumber: 649220
Complexity: 805
Covalently-bondedUnitCount: 1
HeavyAtomCount: 31
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 3
RotatableBondCount: 3
Xlogp3: 5.5
CatalogNumber:
AG69450
ChemicalName:
Morusin
CasNumber:
62596-29-6
MolecularFormula:
C25H24O6
MolecularWeight:
420.4545
MdlNumber:
MFCD09953814
Smiles:
CC(=CCc1c(oc2c(c1=O)c(O)cc1c2C=CC(O1)(C)C)c1ccc(cc1O)O)C
NscNumber:
649220
Complexity:
805
Covalently-bondedUnitCount:
1
HeavyAtomCount:
31
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
3
RotatableBondCount:
3
Xlogp3:
5.5
CatalogNumber: __
ChemicalName: __
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Smiles: NCc1ccncc1.Cl
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NCc1ccncc1.Cl
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Smiles: OC1C(O)[C@@H](OC([C@@H]1O)C(=O)[O-])O[C@H]1CC[C@H]2[C@]1(C)CC[C@@H]1[C@H]2CCc2c1ccc(c2)OS(=O)(=O)[O-].[K+].[K+]
NscNumber: __
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Xlogp3: __
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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:
OC1C(O)[C@@H](OC([C@@H]1O)C(=O)[O-])O[C@H]1CC[C@H]2[C@]1(C)CC[C@@H]1[C@H]2CCc2c1ccc(c2)OS(=O)(=O)[O-].[K+].[K+]
NscNumber:
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Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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