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Details

Stereochemistry ABSOLUTE
Molecular Formula C41H32O26
Molecular Weight 940.6772
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PENTAGALLOYLGLUCOSE

SMILES

OC1=CC(=CC(O)=C1O)C(=O)OC[C@H]2O[C@@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)[C@H](OC(=O)C4=CC(O)=C(O)C(O)=C4)[C@@H](OC(=O)C5=CC(O)=C(O)C(O)=C5)[C@@H]2OC(=O)C6=CC(O)=C(O)C(O)=C6

InChI

InChIKey=QJYNZEYHSMRWBK-NIKIMHBISA-N
InChI=1S/C41H32O26/c42-17-1-12(2-18(43)28(17)52)36(57)62-11-27-33(64-37(58)13-3-19(44)29(53)20(45)4-13)34(65-38(59)14-5-21(46)30(54)22(47)6-14)35(66-39(60)15-7-23(48)31(55)24(49)8-15)41(63-27)67-40(61)16-9-25(50)32(56)26(51)10-16/h1-10,27,33-35,41-56H,11H2/t27-,33-,34+,35-,41+/m1/s1

HIDE SMILES / InChI

Molecular Formula C41H32O26
Molecular Weight 940.6772
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Targets

Primary TargetPharmacologyConditionPotency

PubMed

Patents

Substance Class Chemical
Record UNII
3UI3K8W93I
Record Status Validated (UNII)
Record Version