Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Ingredient: 1Target: 2Links: 4
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 70322
- Core Entity Id
- 132971
- Source Entity Count
- 1
- Preferred Name
- benzyl alcohol xylopyranosyl-(1-6)-glucopyranoside
- Name En
- Pubchem Id
- 131248
- Smiles Canonical
- C1C(C(C(C(O1)OCC2C(C(C(C(O2)OCC3=CC=CC=C3)O)O)O)O)O)O
- Molecular Formula
- C18H26O10
- Molecular Weight
- 402.1500
- Inchikey
- WOGBNISMMIOPAZ-NWQIESHVSA-N
- Inchi
- InChI=1S/C18H26O10/c19-10-7-26-17(15(23)12(10)20)27-8-11-13(21)14(22)16(24)18(28-11)25-6-9-4-2-1-3-5-9/h1-5,10-24H,6-8H2/t10-,11-,12+,13-,14+,15-,16-,17+,18-/m1/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- -2.8000
- Num H Donors
- 6
- Num H Acceptors
- 10
- Num Rotatable Bonds
- 6
- Drug Likeness
- Polar Surface Area
- 158.0000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
benzyl alcohol xylopyranosyl-(1-6)-glucopyranoside
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
benzyl alcohol xylopyranosyl-(1-6)-glucopyranoside
Itcmdb Generated
ITX-INGREDIENT-59298ED0294D
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
402.150
Molecular Formula
C18H26O10
Fda Maximum Daily Dose (Fdamdd)
0.001
Quantitative Estimate Of Drug Likeness（Qed）
0.300