IngredientID 40232
2-O-[α-L-Rhamnopyranosyl-(1→2)-β-D-xylopyranosyl]-1,8-dihydroxy-6-methoxyxanthone
C25H28O14
Relationship Network
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Herb: 1Ingredient: 1Target: 1Links: 3
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Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 40232
- Core Entity Id
- 83243
- Source Entity Count
- 1
- Preferred Name
- 2-O-[α-L-Rhamnopyranosyl-(1→2)-β-D-xylopyranosyl]-1,8-dihydroxy-6-methoxyxanthone
- Name En
- Pubchem Id
- 154791035
- Smiles Canonical
- COc1cc(O)c2c(=O)c3c(O)c(OC4OCC(O)C(O)C4OC4OC(C)C(O)C(O)C4O)ccc3oc2c1
- Molecular Formula
- C25H28O14
- Molecular Weight
- 552.1500
- Inchikey
- Inchi
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- -0.9644
- Num H Donors
- 7
- Num H Acceptors
- 14
- Num Rotatable Bonds
- 5
- Drug Likeness
- Polar Surface Area
- 217.9700
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2-O-[α-L-Rhamnopyranosyl-(1→2)-β-D-xylopyranosyl]-1,8-dihydroxy-6-methoxyxanthone
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
2-O-[α-L-Rhamnopyranosyl-(1→2)-β-D-xylopyranosyl]-1,8-dihydroxy-6-methoxyxanthone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
日本獐牙菜
Role
TCM_name
Source
TCMBank
Preferred
No
Name
RI BEN ZHANG YA CAI
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Japanese Swertia*
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
日本獐牙菜RI BEN ZHANG YA CAIJapanese Swertia*
Cross References
Trusted external identifiers retained for this final record.
Tcmbank
TCMBANKIN000298TCMBANKIN028867
Etcm Ingredient
2-O-[α-L-Rhamnopyranosyl-(1→2)-β-D-xylopyranosyl]-1,8-dihydroxy-6-methoxyxanthone
Itcmdb Generated
ITX-INGREDIENT-081129BAE679ITX-INGREDIENT-DB6377C10212
Attributes
Merged source attributes and domain-specific metadata.
Smiles
CC1C(C(C(C(O1)OC2C(C(COC2OC3=C(C4=C(C=C3)OC5=CC(=CC(=C5C4=O)O)OC)O)O)O)O)O)O
Tcm Name
日本獐牙菜
Tcm Name2
RI BEN ZHANG YA CAI
Mol2 Path
/TCM_database/2007_3d_all/18736.mol2
Reference
2528
Tcm Name En
Japanese Swertia*
Molecular Weight
552.150
Molecular Formula
C25H28O14
Molecular Formula
C25H28O14
Fda Maximum Daily Dose (Fdamdd)
0.009
Quantitative Estimate Of Drug Likeness（Qed）
0.190