AB52230
88901-36-4 | Mogroside V
Manufacturer: A2B Chem
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CatalogNumber
AB52230
ChemicalName
Mogroside V
CasNumber
88901-36-4
MolecularFormula
C60H102O29
MolecularWeight
1287.4345
MdlNumber
MFCD00238649
Smiles
OC[C@H]1O[C@@H](O[C@H]2[C@@H](O[C@@H]([C@H]([C@@H]2O)O)CO[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)O[C@@H](C(O)(C)C)CC[C@H]([C@H]2CC[C@@]3([C@]2(C)C[C@@H](O)[C@@]2([C@H]3CC=C3[C@H]2CC[C@@H](C3(C)C)O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@H]([C@@H]([C@H]3O)O)O)[C@H]([C@@H]([C@H]2O)O)O)C)C)C)[C@@H]([C@H]([C@@H]1O)O)O
Complexity
2360
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
35
HeavyAtomCount
89
HydrogenBondAcceptorCount
29
HydrogenBondDonorCount
19
RotatableBondCount
20
Xlogp3
-3.7
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CatalogNumber: AB52230
ChemicalName: Mogroside V
CasNumber: 88901-36-4
MolecularFormula: C60H102O29
MolecularWeight: 1287.4345
MdlNumber: MFCD00238649
Smiles: OC[C@H]1O[C@@H](O[C@H]2[C@@H](O[C@@H]([C@H]([C@@H]2O)O)CO[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)O[C@@H](C(O)(C)C)CC[C@H]([C@H]2CC[C@@]3([C@]2(C)C[C@@H](O)[C@@]2([C@H]3CC=C3[C@H]2CC[C@@H](C3(C)C)O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@H]([C@@H]([C@H]3O)O)O)[C@H]([C@@H]([C@H]2O)O)O)C)C)C)[C@@H]([C@H]([C@@H]1O)O)O
Complexity: 2360
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 35
HeavyAtomCount: 89
HydrogenBondAcceptorCount: 29
HydrogenBondDonorCount: 19
RotatableBondCount: 20
Xlogp3: -3.7
CatalogNumber:
AB52230
ChemicalName:
Mogroside V
CasNumber:
88901-36-4
MolecularFormula:
C60H102O29
MolecularWeight:
1287.4345
MdlNumber:
MFCD00238649
Smiles:
OC[C@H]1O[C@@H](O[C@H]2[C@@H](O[C@@H]([C@H]([C@@H]2O)O)CO[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)O[C@@H](C(O)(C)C)CC[C@H]([C@H]2CC[C@@]3([C@]2(C)C[C@@H](O)[C@@]2([C@H]3CC=C3[C@H]2CC[C@@H](C3(C)C)O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@H]([C@@H]([C@H]3O)O)O)[C@H]([C@@H]([C@H]2O)O)O)C)C)C)[C@@H]([C@H]([C@@H]1O)O)O
Complexity:
2360
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
35
HeavyAtomCount:
89
HydrogenBondAcceptorCount:
29
HydrogenBondDonorCount:
19
RotatableBondCount:
20
Xlogp3:
-3.7
CatalogNumber: AB52231
ChemicalName: 2-[4-hydroxy-3-(prop-2-en-1-yl)phenyl]-4-(prop-2-en-1-yl)phenol
CasNumber: 35354-74-6
MolecularFormula: C18H18O2
MolecularWeight: 266.3343
MdlNumber: MFCD00016674
Smiles: C=CCc1ccc(c(c1)c1ccc(c(c1)CC=C)O)O
Complexity: 325
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 2
RotatableBondCount: 5
Xlogp3: 5
CatalogNumber:
AB52231
ChemicalName:
2-[4-hydroxy-3-(prop-2-en-1-yl)phenyl]-4-(prop-2-en-1-yl)phenol
CasNumber:
35354-74-6
MolecularFormula:
C18H18O2
MolecularWeight:
266.3343
MdlNumber:
MFCD00016674
Smiles:
C=CCc1ccc(c(c1)c1ccc(c(c1)CC=C)O)O
Complexity:
325
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
2
RotatableBondCount:
5
Xlogp3:
5
CatalogNumber: AB52232
ChemicalName: 3,5-Di-O-caffeoylquinic acid
CasNumber: 2450-53-5
MolecularFormula: C25H24O12
MolecularWeight: 516.4509
MdlNumber: MFCD00951290
Smiles: O=C(O[C@@H]1C[C@@](O)(C[C@H]([C@H]1O)OC(=O)/C=C/c1ccc(c(c1)O)O)C(=O)O)/C=C/c1ccc(c(c1)O)O
Complexity: 825
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 2
HeavyAtomCount: 37
HydrogenBondAcceptorCount: 12
HydrogenBondDonorCount: 7
RotatableBondCount: 9
Xlogp3: 1.5
CatalogNumber:
AB52232
ChemicalName:
3,5-Di-O-caffeoylquinic acid
CasNumber:
2450-53-5
MolecularFormula:
C25H24O12
MolecularWeight:
516.4509
MdlNumber:
MFCD00951290
Smiles:
O=C(O[C@@H]1C[C@@](O)(C[C@H]([C@H]1O)OC(=O)/C=C/c1ccc(c(c1)O)O)C(=O)O)/C=C/c1ccc(c(c1)O)O
Complexity:
825
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
2
HeavyAtomCount:
37
HydrogenBondAcceptorCount:
12
HydrogenBondDonorCount:
7
RotatableBondCount:
9
Xlogp3:
1.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@@H]3[C@H]2[C@@]2(CO)O[C@H]2[C@H]3O)[C@@H]([C@H]([C@@H]1O)O)O
Complexity: 542
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: -3.2
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@@H]3[C@H]2[C@@]2(CO)O[C@H]2[C@H]3O)[C@@H]([C@H]([C@@H]1O)O)O
Complexity:
542
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
-3.2