Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
Click a node to open it in a new tab
Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 22058
- Core Entity Id
- 27702
- Source Entity Count
- 1
- Preferred Name
- Ilicifolioside c
- Name En
- Pubchem Id
- 11114751
- Smiles Canonical
- C=CC(CCCCC(=O)O)OC1C(C(C(C(O1)CO)O)O)OC2C(C(C(C(O2)COC3C(C(C(CO3)O)O)O)O)O)O
- Molecular Formula
- C25H42O17
- Molecular Weight
- 614.5940
- Inchikey
- WHIYEEOTOKLQHR-IUPWCWCHSA-N
- Inchi
- InChI=1S/C25H42O17/c1-2-10(5-3-4-6-14(28)29)39-25-22(19(34)16(31)12(7-26)40-25)42-24-21(36)18(33)17(32)13(41-24)9-38-23-20(35)15(30)11(27)8-37-23/h2,10-13,15-27,30-36H,1,3-9H2,(H,28,29)/t10-,11+,12+,13+,15-,16+,17+,18-,19-,20+,21+,22+,23-,24-,25+/m0/s1
- Isomeric Smiles
- C=C[C@@H](CCCCC(=O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO[C@H]3[C@@H]([C@H]([C@@H](CO3)O)O)O)O)O)O
- Cas Id
- Ob Score
- Mol Logp
- -4.7100
- Num H Donors
- 10
- Num H Acceptors
- 16
- Num Rotatable Bonds
- 14
- Drug Likeness
- 0.0650
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Ilicifolioside C
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Ilicifolioside C
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Ilicifolioside c
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Ilicifolioside c
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
老鼠簕
Role
TCM_name
Source
TCMBank
Preferred
No
Name
LAO SHU LE
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Hollyleaf Acanthus
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
老鼠簕LAO SHU LEHollyleaf Acanthus
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN030032
Npass
NPC47408
Tcmid
10988
Pub Chem
11114751
Tcmbank
TCMBANKIN048507
Etcm Ingredient
Ilicifolioside C
Itcmdb Generated
ITX-INGREDIENT-4C2C87843B27
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C25H42O17/c1-2-10(5-3-4-6-14(28)29)39-25-22(19(34)16(31)12(7-26)40-25)42-24-21(36)18(33)17(32)13(41-24)9-38-23-20(35)15(30)11(27)8-37-23/h2,10-13,15-27,30-36H,1,3-9H2,(H,28,29)/t10-,11+,12+,13+,15-,16+,17+,18-,19-,20+,21+,22+,23-,24-,25+/m0/s1
Mol Wt
614.5940000000006
Mol Log P
-4.709999999999989
In Ch Ikey
WHIYEEOTOKLQHR-IUPWCWCHSA-N
Tcm Name
老鼠簕
Tcm Name2
LAO SHU LE
Mol2 Path
/TCM_database/2007_3d_all/10990.mol2
Reference
4392
Num Hdonors
10
Tcm Name En
Hollyleaf Acanthus
Drug Likeness
0.065
Num Hacceptors
16
Isomeric Smiles
C=C[C@@H](CCCCC(=O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO[C@H]3[C@@H]([C@H]([C@@H](CO3)O)O)O)O)O)O
Canonical Smiles
C=CC(CCCCC(=O)O)OC1C(C(C(C(O1)CO)O)O)OC2C(C(C(C(O2)COC3C(C(C(CO3)O)O)O)O)O)O
Molecular Weight
614.240
Molecular Weight
614.6 g/mol
Molecular Formula
C25H42O17
Molecular Formula
C25H42O17
Num Rotatable Bonds
14
Fda Maximum Daily Dose (Fdamdd)
0.005
Quantitative Estimate Of Drug Likeness（Qed）
0.065