IngredientID 2439

2-phenylethyl-6-o-alpha-l-arabinofuranosyl-beta-d-glucopyranoside

C19H28O10

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Relationship Network

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Herb: 1Ingredient: 1Links: 1
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Record Fields

Scalar fields from the final ingredient record.

Ingredient Id
2439
Core Entity Id
5898
Source Entity Count
1
Preferred Name
2-phenylethyl-6-o-alpha-l-arabinofuranosyl-beta-d-glucopyranoside
Name En
Pubchem Id
14682811
Smiles Canonical
C1=CC=C(C=C1)CCOC2C(C(C(C(O2)COC3C(C(C(O3)CO)O)O)O)O)O
Molecular Formula
C19H28O10
Molecular Weight
416.4000
Inchikey
DWYFWLYCTOAXKY-DXAFFUQDSA-N
Inchi
InChI=1S/C19H28O10/c20-8-11-13(21)16(24)19(28-11)27-9-12-14(22)15(23)17(25)18(29-12)26-7-6-10-4-2-1-3-5-10/h1-5,11-25H,6-9H2/t11-,12+,13-,14+,15-,16+,17+,18+,19+/m0/s1
Isomeric Smiles
Cas Id
Ob Score
Mol Logp
-1.6000
Num H Donors
6
Num H Acceptors
10
Num Rotatable Bonds
8
Drug Likeness
Polar Surface Area
158.0000
Molecular Volume
Alogp

Names

Preferred names, aliases, and source labels retained in the final schema.

Name
2-phenylethyl-6-o-alpha-l-arabinofuranosyl-beta-d-glucopyranoside
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
2-phenylethyl-6-o-alpha-l-arabinofuranosyl-beta-d-glucopyranoside
Role
preferred
Source
itcmdb_public
Preferred
Yes

Cross References

Trusted external identifiers retained for this final record.

Herb
HBIN006313
Tcmid
34769