1,2,6-Trigalloylglucose

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C27H24O18
Molecular Weight	636.4687
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

O[C@@H]1[C@@H](COC(=O)C2=CC(O)=C(O)C(O)=C2)O[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]1O

InChI

InChIKey=LLENXGNWVNSBQG-VFTFQOQOSA-N

InChI=1S/C27H24O18/c28-11-1-8(2-12(29)18(11)34)24(39)42-7-17-21(37)22(38)23(44-25(40)9-3-13(30)19(35)14(31)4-9)27(43-17)45-26(41)10-5-15(32)20(36)16(33)6-10/h1-6,17,21-23,27-38H,7H2/t17-,21-,22+,23-,27+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C27H24O18
Molecular Weight	636.4687
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 05:49:04 GMT 2025` Edited by `admin` on `Wed Apr 02 05:49:04 GMT 2025`
Record UNII	MD4L7VNE2T
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

1,2,6-Tri-O-galloyl-?-D-glucopyranose

Preferred Name

English

1,2,6-Trigalloylglucose

Common Name

English

1,2,6-Tri-O-galloylglucose

Common Name

English

1,2,6-Tri-O-galloyl-?-D-glucose

Common Name

English

1,2,6-Tri-galloyl-?-D-glucose

Common Name

English

[4,5-dihydroxy-2-(3,4,5-trihydroxybenzoyl)oxy-6-[(3,4,5-trihydroxybenzoyl)oxymethyl]oxan-3-yl] 3,4,5-trihydroxybenzoate

Systematic Name

English

?-D-Glucopyranose, 1,2,6-tris(3,4,5-trihydroxybenzoate)

Systematic Name

English

Code System Code Type Description

FDA UNII

MD4L7VNE2T