AD32257
19210-12-9 | Harpagoside
Manufacturer: A2B Chem
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CatalogNumber
AD32257
ChemicalName
Harpagoside
CasNumber
19210-12-9
MolecularFormula
C24H30O11
MolecularWeight
494.4884
MdlNumber
MFCD00017415
Smiles
OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@@]3([C@H]2[C@@](C)(OC(=O)/C=C/c2ccccc2)C[C@H]3O)O)[C@@H]([C@H]([C@@H]1O)O)O
Complexity
811
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
10
DefinedBondStereocenterCount
1
HeavyAtomCount
35
HydrogenBondAcceptorCount
11
HydrogenBondDonorCount
6
RotatableBondCount
7
Xlogp3
-0.6
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CatalogNumber: AD32257
ChemicalName: Harpagoside
CasNumber: 19210-12-9
MolecularFormula: C24H30O11
MolecularWeight: 494.4884
MdlNumber: MFCD00017415
Smiles: OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@@]3([C@H]2[C@@](C)(OC(=O)/C=C/c2ccccc2)C[C@H]3O)O)[C@@H]([C@H]([C@@H]1O)O)O
Complexity: 811
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 10
DefinedBondStereocenterCount: 1
HeavyAtomCount: 35
HydrogenBondAcceptorCount: 11
HydrogenBondDonorCount: 6
RotatableBondCount: 7
Xlogp3: -0.6
CatalogNumber:
AD32257
ChemicalName:
Harpagoside
CasNumber:
19210-12-9
MolecularFormula:
C24H30O11
MolecularWeight:
494.4884
MdlNumber:
MFCD00017415
Smiles:
OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@@]3([C@H]2[C@@](C)(OC(=O)/C=C/c2ccccc2)C[C@H]3O)O)[C@@H]([C@H]([C@@H]1O)O)O
Complexity:
811
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
10
DefinedBondStereocenterCount:
1
HeavyAtomCount:
35
HydrogenBondAcceptorCount:
11
HydrogenBondDonorCount:
6
RotatableBondCount:
7
Xlogp3:
-0.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
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Smiles: c1ccc2c(c1)ccc(c2)N(c1c2ccccc2cc2c1cccc2)c1cccc2c1cccc2
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
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HydrogenBondDonorCount: __
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Xlogp3: __
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Smiles:
c1ccc2c(c1)ccc(c2)N(c1c2ccccc2cc2c1cccc2)c1cccc2c1cccc2
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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MolecularFormula: __
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Smiles: NC(=O)NCCNC(=O)N
Complexity: __
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DefinedBondStereocenterCount: __
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__
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MolecularFormula:
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Smiles:
NC(=O)NCCNC(=O)N
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
DefinedBondStereocenterCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
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MolecularFormula: __
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Smiles: CC(c1ccc(cc1)[I+]c1ccc(cc1)C(C)(C)C)(C)C.[O-]C(=O)C
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(c1ccc(cc1)[I+]c1ccc(cc1)C(C)(C)C)(C)C.[O-]C(=O)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__