Structure Database (LMSD)

Common Name
Gambiriin C
Systematic Name
Synonyms
  • Epiafzelechin-(4beta->8)-catechin
LM ID
LMPK12030011
Formula
C30H26O11
Exact Mass
Calculate m/z
562.147515
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Proanthocyanidins [PK1203]

String Representations

InChiKey (Click to copy)
KUODBSWFMJMVJV-UKWJTHFESA-N
InChi (Click to copy)
InChI=1S/C30H26O11/c31-14-4-1-12(2-5-14)29-27(39)26(24-20(36)8-15(32)9-23(24)40-29)25-21(37)11-18(34)16-10-22(38)28(41-30(16)25)13-3-6-17(33)19(35)7-13/h1-9,11,22,26-29,31-39H,10H2/t22-,26+,27+,28+,29+/m0/s1
SMILES (Click to copy)
C1(O)=CC2O[C@H](C3C=CC(O)=CC=3)[C@H](O)[C@@H](C3=C(O)C=C(O)C4C[C@H](O)[C@@H](C5C=CC(O)=C(O)C=5)OC=43)C=2C(O)=C1

Other Databases

KEGG ID
C10228
CHEBI ID
5271
PubChem CID
156680

Calculated Physicochemical Properties

Heavy Atoms 41
Rings 6
Aromatic Rings 4
Rotatable Bonds 3
Van der Waals Molecular Volume 474.81
Topological Polar Surface Area 204.67
Hydrogen Bond Donors 9
Hydrogen Bond Acceptors 11
logP 3.86
Molar Refractivity 142.74

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Created at
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Updated at
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