IngredientID 12223

Benzyl alcoholbeta-d-(2'-o-beta-xylopyranosyl)glucopyranoside

C18H26O10

Relationship Network

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Herb: 3Ingredient: 1Target: 2Links: 7

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Record Fields

Scalar fields from the final ingredient record.

Ingredient Id: 12223
Core Entity Id: 16754
Source Entity Count: 1
Preferred Name: Benzyl alcoholbeta-d-(2'-o-beta-xylopyranosyl)glucopyranoside
Name En
Pubchem Id: 10763616
Smiles Canonical: C1C(C(C(C(O1)OC2C(C(C(OC2OCC3=CC=CC=C3)CO)O)O)O)O)O
Molecular Formula: C18H26O10
Molecular Weight: 402.3960
Inchikey: ONUWJUACWORIMJ-NWQIESHVSA-N
Inchi: InChI=1S/C18H26O10/c19-6-11-13(22)14(23)16(28-17-15(24)12(21)10(20)8-26-17)18(27-11)25-7-9-4-2-1-3-5-9/h1-5,10-24H,6-8H2/t10-,11-,12+,13-,14+,15-,16-,17+,18-/m1/s1
Isomeric Smiles: C1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OCC3=CC=CC=C3)CO)O)O)O)O)O
Cas Id
Ob Score
Mol Logp: -2.5336
Num H Donors: 6
Num H Acceptors: 10
Num Rotatable Bonds: 6
Drug Likeness: 0.3000
Polar Surface Area
Molecular Volume
Alogp

Names

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

Name

Benzyl alcohol -beta-D-(2'-O--beta-xylopyranosyl)glucopyranoside

Role

preferred

Source

ETCM_v2

Preferred

Yes

Name

Benzyl alcoholbeta-d-(2'-o-beta-xylopyranosyl)glucopyranoside

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

Benzyl alcoholbeta-d-(2'-o-beta-xylopyranosyl)glucopyranoside

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

Benzyl 2-O-beta-D-xylopyranosyl-beta-D-glucopyranoside

Role

alias

Source

HERB_v2

Preferred

Name

Benzyl 2-O-beta-D-xylopyranosyl-beta-D-glucopyranoside

Role

alias

Source

itcmdb_public

Preferred

Name

NCGC00385728-01

Role

alias

Source

HERB_v2

Preferred

Name

NCGC00385728-01

Role

alias

Source

itcmdb_public

Preferred

Aliases

Additional names normalized into the restored final schema.

Benzyl alcohol -beta-D-(2'-O--beta-xylopyranosyl)glucopyranosideBenzyl 2-O-beta-D-xylopyranosyl-beta-D-glucopyranosideNCGC00385728-01

Cross References

Trusted external identifiers retained for this final record.

Herb

HBIN017846

Npass

NPC144566

Tcmid

2279

Pub Chem

10763616

Etcm Ingredient

Benzyl alcohol -beta-D-(2'-O--beta-xylopyranosyl)glucopyranoside

Itcmdb Generated

ITX-INGREDIENT-7BF8A14BBDF9

Attributes

Merged source attributes and domain-specific metadata.

In Ch I

InChI=1S/C18H26O10/c19-6-11-13(22)14(23)16(28-17-15(24)12(21)10(20)8-26-17)18(27-11)25-7-9-4-2-1-3-5-9/h1-5,10-24H,6-8H2/t10-,11-,12+,13-,14+,15-,16-,17+,18-/m1/s1

Mol Wt

402.3960000000001

Mol Log P

-2.533599999999997

In Ch Ikey

ONUWJUACWORIMJ-NWQIESHVSA-N

Num Hdonors

Drug Likeness

0.3

Num Hacceptors

Isomeric Smiles

C1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OCC3=CC=CC=C3)CO)O)O)O)O)O

Canonical Smiles

C1C(C(C(C(O1)OC2C(C(C(OC2OCC3=CC=CC=C3)CO)O)O)O)O)O

Herb Alias Names

Benzyl 2-O-beta-D-xylopyranosyl-beta-D-glucopyranosideNCGC00385728-01

Molecular Weight

402.150

Molecular Formula

C18H26O10

Molecular Formula

C18H26O10

Num Rotatable Bonds

Fda Maximum Daily Dose (Fdamdd)

0.001

Quantitative Estimate Of Drug Likeness（Qed）

0.300