AE98908
158932-33-3 | Secoisolariciresinol Diglucoside
Manufacturer: A2B Chem
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CatalogNumber
AE98908
ChemicalName
Secoisolariciresinol Diglucoside
CasNumber
158932-33-3
MolecularFormula
C32H46O16
MolecularWeight
686.69804
MdlNumber
MFCD03427692
Smiles
OC[C@H]1O[C@@H](OC[C@@H]([C@@H](Cc2ccc(c(c2)OC)O)CO[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)Cc2ccc(c(c2)OC)O)[C@@H]([C@H]([C@@H]1O)O)O
Complexity
861
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
12
HeavyAtomCount
48
HydrogenBondAcceptorCount
16
HydrogenBondDonorCount
10
RotatableBondCount
15
Xlogp3
-0.7
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CatalogNumber: AE98908
ChemicalName: Secoisolariciresinol Diglucoside
CasNumber: 158932-33-3
MolecularFormula: C32H46O16
MolecularWeight: 686.69804
MdlNumber: MFCD03427692
Smiles: OC[C@H]1O[C@@H](OC[C@@H]([C@@H](Cc2ccc(c(c2)OC)O)CO[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)Cc2ccc(c(c2)OC)O)[C@@H]([C@H]([C@@H]1O)O)O
Complexity: 861
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 12
HeavyAtomCount: 48
HydrogenBondAcceptorCount: 16
HydrogenBondDonorCount: 10
RotatableBondCount: 15
Xlogp3: -0.7
CatalogNumber:
AE98908
ChemicalName:
Secoisolariciresinol Diglucoside
CasNumber:
158932-33-3
MolecularFormula:
C32H46O16
MolecularWeight:
686.69804
MdlNumber:
MFCD03427692
Smiles:
OC[C@H]1O[C@@H](OC[C@@H]([C@@H](Cc2ccc(c(c2)OC)O)CO[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)Cc2ccc(c(c2)OC)O)[C@@H]([C@H]([C@@H]1O)O)O
Complexity:
861
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
12
HeavyAtomCount:
48
HydrogenBondAcceptorCount:
16
HydrogenBondDonorCount:
10
RotatableBondCount:
15
Xlogp3:
-0.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(O[C@@H]1C[C@@](OC(=O)/C=C/c2ccc(c(c2)O)O)(C[C@H]([C@H]1O)O)C(=O)O)/C=C/c1ccc(c(c1)O)O
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(O[C@@H]1C[C@@](OC(=O)/C=C/c2ccc(c(c2)O)O)(C[C@H]([C@H]1O)O)C(=O)O)/C=C/c1ccc(c(c1)O)O
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1ncc2c(c1)cc([nH]2)C=O
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1ncc2c(c1)cc([nH]2)C=O
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AE98911
ChemicalName: (Tetrahydrofuran-3-yl)methanamine, HCl
CasNumber: 184950-35-4
MolecularFormula: C5H12ClNO
MolecularWeight: 137.6079
MdlNumber: MFCD08448154
Smiles: NCC1COCC1.Cl
Complexity: 56
Covalently-bondedUnitCount: 2
DefinedAtomStereocenterCount: __
HeavyAtomCount: 8
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 2
RotatableBondCount: 1
Xlogp3: __
CatalogNumber:
AE98911
ChemicalName:
(Tetrahydrofuran-3-yl)methanamine, HCl
CasNumber:
184950-35-4
MolecularFormula:
C5H12ClNO
MolecularWeight:
137.6079
MdlNumber:
MFCD08448154
Smiles:
NCC1COCC1.Cl
Complexity:
56
Covalently-bondedUnitCount:
2
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
8
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
2
RotatableBondCount:
1
Xlogp3:
__