AB50336
22427-39-0 | (3beta,6alpha,12beta)-3,12-Dihydroxydammar-24-ene-6,20-diyl bis-beta-D-glucopyranoside
Manufacturer: A2B Chem
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CatalogNumber
AB50336
ChemicalName
(3beta,6alpha,12beta)-3,12-Dihydroxydammar-24-ene-6,20-diyl bis-beta-D-glucopyranoside
CasNumber
22427-39-0
MolecularFormula
C42H72O14
MolecularWeight
801.0127
MdlNumber
MFCD00210293
Smiles
OC[C@H]1O[C@@H](O[C@H]2C[C@]3(C)[C@@H]([C@@]4([C@@H]2C(C)(C)[C@@H](O)CC4)C)C[C@H]([C@H]2[C@@]3(C)CC[C@@H]2[C@@](O[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)(CCC=C(C)C)C)O)[C@@H]([C@H]([C@@H]1O)O)O
Complexity
1410
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
21
HeavyAtomCount
56
HydrogenBondAcceptorCount
14
HydrogenBondDonorCount
10
RotatableBondCount
10
Xlogp3
2.7
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CatalogNumber: AB50336
ChemicalName: (3beta,6alpha,12beta)-3,12-Dihydroxydammar-24-ene-6,20-diyl bis-beta-D-glucopyranoside
CasNumber: 22427-39-0
MolecularFormula: C42H72O14
MolecularWeight: 801.0127
MdlNumber: MFCD00210293
Smiles: OC[C@H]1O[C@@H](O[C@H]2C[C@]3(C)[C@@H]([C@@]4([C@@H]2C(C)(C)[C@@H](O)CC4)C)C[C@H]([C@H]2[C@@]3(C)CC[C@@H]2[C@@](O[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)(CCC=C(C)C)C)O)[C@@H]([C@H]([C@@H]1O)O)O
Complexity: 1410
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 21
HeavyAtomCount: 56
HydrogenBondAcceptorCount: 14
HydrogenBondDonorCount: 10
RotatableBondCount: 10
Xlogp3: 2.7
CatalogNumber:
AB50336
ChemicalName:
(3beta,6alpha,12beta)-3,12-Dihydroxydammar-24-ene-6,20-diyl bis-beta-D-glucopyranoside
CasNumber:
22427-39-0
MolecularFormula:
C42H72O14
MolecularWeight:
801.0127
MdlNumber:
MFCD00210293
Smiles:
OC[C@H]1O[C@@H](O[C@H]2C[C@]3(C)[C@@H]([C@@]4([C@@H]2C(C)(C)[C@@H](O)CC4)C)C[C@H]([C@H]2[C@@]3(C)CC[C@@H]2[C@@](O[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)(CCC=C(C)C)C)O)[C@@H]([C@H]([C@@H]1O)O)O
Complexity:
1410
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
21
HeavyAtomCount:
56
HydrogenBondAcceptorCount:
14
HydrogenBondDonorCount:
10
RotatableBondCount:
10
Xlogp3:
2.7
CatalogNumber: AB50337
ChemicalName: 4-Cyano-2-fluorobenzyl alcohol
CasNumber: 219873-06-0
MolecularFormula: C8H6FNO
MolecularWeight: 151.1377
MdlNumber: MFCD09037779
Smiles: N#Cc1ccc(c(c1)F)CO
Complexity: 174
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 0.9
CatalogNumber:
AB50337
ChemicalName:
4-Cyano-2-fluorobenzyl alcohol
CasNumber:
219873-06-0
MolecularFormula:
C8H6FNO
MolecularWeight:
151.1377
MdlNumber:
MFCD09037779
Smiles:
N#Cc1ccc(c(c1)F)CO
Complexity:
174
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
0.9
CatalogNumber: AB50338
ChemicalName: 2-Methoxynaphthalene-4-boronic acid
CasNumber: 219834-94-3
MolecularFormula: C11H11BO3
MolecularWeight: 202.0142
MdlNumber: MFCD18412862
Smiles: COc1cc(B(O)O)c2c(c1)cccc2
Complexity: 210
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: __
CatalogNumber:
AB50338
ChemicalName:
2-Methoxynaphthalene-4-boronic acid
CasNumber:
219834-94-3
MolecularFormula:
C11H11BO3
MolecularWeight:
202.0142
MdlNumber:
MFCD18412862
Smiles:
COc1cc(B(O)O)c2c(c1)cccc2
Complexity:
210
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C1OCCOC(=O)CC1
Complexity: 134
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: -0.4
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C1OCCOC(=O)CC1
Complexity:
134
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
-0.4