AG22352
55750-84-0 | Crocin II
Manufacturer: A2B Chem
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CatalogNumber
AG22352
ChemicalName
Crocin II
CasNumber
55750-84-0
MolecularFormula
C38H54O19
MolecularWeight
814.824
MdlNumber
MFCD11111454
Smiles
OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC(=O)/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C(=O)O[C@@H]3O[C@H](CO)[C@H]([C@@H]([C@H]3O)O)O)C)C)/C)/C)[C@@H]([C@H]([C@@H]2O)O)O)[C@@H]([C@H]([C@@H]1O)O)O
Complexity
1550
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
15
DefinedBondStereocenterCount
7
HeavyAtomCount
57
HydrogenBondAcceptorCount
19
HydrogenBondDonorCount
11
RotatableBondCount
17
Xlogp3
-0.3
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CatalogNumber: AG22352
ChemicalName: Crocin II
CasNumber: 55750-84-0
MolecularFormula: C38H54O19
MolecularWeight: 814.824
MdlNumber: MFCD11111454
Smiles: OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC(=O)/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C(=O)O[C@@H]3O[C@H](CO)[C@H]([C@@H]([C@H]3O)O)O)C)C)/C)/C)[C@@H]([C@H]([C@@H]2O)O)O)[C@@H]([C@H]([C@@H]1O)O)O
Complexity: 1550
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 15
DefinedBondStereocenterCount: 7
HeavyAtomCount: 57
HydrogenBondAcceptorCount: 19
HydrogenBondDonorCount: 11
RotatableBondCount: 17
Xlogp3: -0.3
CatalogNumber:
AG22352
ChemicalName:
Crocin II
CasNumber:
55750-84-0
MolecularFormula:
C38H54O19
MolecularWeight:
814.824
MdlNumber:
MFCD11111454
Smiles:
OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC(=O)/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C(=O)O[C@@H]3O[C@H](CO)[C@H]([C@@H]([C@H]3O)O)O)C)C)/C)/C)[C@@H]([C@H]([C@@H]2O)O)O)[C@@H]([C@H]([C@@H]1O)O)O
Complexity:
1550
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
15
DefinedBondStereocenterCount:
7
HeavyAtomCount:
57
HydrogenBondAcceptorCount:
19
HydrogenBondDonorCount:
11
RotatableBondCount:
17
Xlogp3:
-0.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
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Smiles: CCCCCCCCCCCCCCCCCCOP(=O)(OCCCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCC
Complexity: __
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Smiles:
CCCCCCCCCCCCCCCCCCOP(=O)(OCCCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCC
Complexity:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles:
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Complexity:
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Covalently-bondedUnitCount:
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DefinedAtomStereocenterCount:
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DefinedBondStereocenterCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: CCC(=O)[O-].CCC(=O)[O-].[Mg+2]
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
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Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCC(=O)[O-].CCC(=O)[O-].[Mg+2]
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__