AH49954
82854-37-3 | Echinacoside
Manufacturer: A2B Chem
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CatalogNumber
AH49954
ChemicalName
Echinacoside
CasNumber
82854-37-3
MolecularFormula
C35H46O20
MolecularWeight
786.7277
MdlNumber
MFCD00075695
Smiles
OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OCCc3ccc(c(c3)O)O)[C@@H]([C@H]([C@@H]2OC(=O)/C=C/c2ccc(c(c2)O)O)O[C@@H]2O[C@@H](C)[C@@H]([C@H]([C@H]2O)O)O)O)[C@@H]([C@H]([C@@H]1O)O)O
Complexity
1230
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
15
DefinedBondStereocenterCount
1
HeavyAtomCount
55
HydrogenBondAcceptorCount
20
HydrogenBondDonorCount
12
RotatableBondCount
14
Xlogp3
-2.1
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CatalogNumber: AH49954
ChemicalName: Echinacoside
CasNumber: 82854-37-3
MolecularFormula: C35H46O20
MolecularWeight: 786.7277
MdlNumber: MFCD00075695
Smiles: OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OCCc3ccc(c(c3)O)O)[C@@H]([C@H]([C@@H]2OC(=O)/C=C/c2ccc(c(c2)O)O)O[C@@H]2O[C@@H](C)[C@@H]([C@H]([C@H]2O)O)O)O)[C@@H]([C@H]([C@@H]1O)O)O
Complexity: 1230
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 15
DefinedBondStereocenterCount: 1
HeavyAtomCount: 55
HydrogenBondAcceptorCount: 20
HydrogenBondDonorCount: 12
RotatableBondCount: 14
Xlogp3: -2.1
CatalogNumber:
AH49954
ChemicalName:
Echinacoside
CasNumber:
82854-37-3
MolecularFormula:
C35H46O20
MolecularWeight:
786.7277
MdlNumber:
MFCD00075695
Smiles:
OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OCCc3ccc(c(c3)O)O)[C@@H]([C@H]([C@@H]2OC(=O)/C=C/c2ccc(c(c2)O)O)O[C@@H]2O[C@@H](C)[C@@H]([C@H]([C@H]2O)O)O)O)[C@@H]([C@H]([C@@H]1O)O)O
Complexity:
1230
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
15
DefinedBondStereocenterCount:
1
HeavyAtomCount:
55
HydrogenBondAcceptorCount:
20
HydrogenBondDonorCount:
12
RotatableBondCount:
14
Xlogp3:
-2.1
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Smiles: COc1ccc(cc1c1csc(n1)N)C
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Smiles:
COc1ccc(cc1c1csc(n1)N)C
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DefinedAtomStereocenterCount:
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DefinedBondStereocenterCount:
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HeavyAtomCount:
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HydrogenBondDonorCount:
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Smiles: ClCc1onc(n1)c1cccc(c1)Br
Complexity: __
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DefinedAtomStereocenterCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
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HydrogenBondDonorCount: __
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Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
ClCc1onc(n1)c1cccc(c1)Br
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__