Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 33867
- Core Entity Id
- 40842
- Source Entity Count
- 1
- Preferred Name
- Staphylionoside j
- Name En
- Pubchem Id
- 11395644
- Smiles Canonical
- CC(C=CC1C(CC(C(C1(C)O)O)O)(C)C)OC2C(C(C(C(O2)CO)O)O)O
- Molecular Formula
- C19H34O9
- Molecular Weight
- 406.4720
- Inchikey
- FKLUOSPYDPNATQ-OKFFYJQPSA-N
- Inchi
- InChI=1S/C19H34O9/c1-9(27-17-15(24)14(23)13(22)11(8-20)28-17)5-6-12-18(2,3)7-10(21)16(25)19(12,4)26/h5-6,9-17,20-26H,7-8H2,1-4H3/b6-5+/t9-,10+,11+,12+,13+,14-,15+,16+,17+,19+/m0/s1
- Isomeric Smiles
- C[C@@H](/C=C/[C@H]1[C@@]([C@@H]([C@@H](CC1(C)C)O)O)(C)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
- Cas Id
- Ob Score
- Mol Logp
- -1.7335
- Num H Donors
- 7
- Num H Acceptors
- 9
- Num Rotatable Bonds
- 5
- Drug Likeness
- 0.2630
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Staphylionoside j
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Staphylionoside j
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
staphylionoside j
Role
preferred
Source
TCMBank
Preferred
Yes
Name
staphylionoside b
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
staphylionoside b
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN044719HBIN044711
Npass
NPC102127
Tcmid
2024920257
Pub Chem
11395644
Tcmbank
TCMBANKIN048394TCMBANKIN059281
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C19H34O9/c1-9(27-17-15(24)14(23)13(22)11(8-20)28-17)5-6-12-18(2,3)7-10(21)16(25)19(12,4)26/h5-6,9-17,20-26H,7-8H2,1-4H3/b6-5+/t9-,10+,11+,12+,13+,14-,15+,16+,17+,19+/m0/s1
Mol Wt
406.4720000000001
Smiles
CC(C=CC1C(CC(C(C1(C)O)O)O)(C)C)OC2C(C(C(C(O2)CO)O)O)O
Mol Log P
-1.733499999999998
In Ch Ikey
FKLUOSPYDPNATQ-OKFFYJQPSA-N
Mol2 Path
/TCM_database/2007_3d_all/20273.mol2
Reference
4478
Num Hdonors
7
Drug Likeness
0.263
Num Hacceptors
9
Isomeric Smiles
C[C@@H](/C=C/[C@H]1[C@@]([C@@H]([C@@H](CC1(C)C)O)O)(C)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
Canonical Smiles
CC(C=CC1C(CC(C(C1(C)O)O)O)(C)C)OC2C(C(C(C(O2)CO)O)O)O
Molecular Weight
406.5 g/mol
Molecular Formula
C19H34O9
Molecular Formula
C19H34O9
Num Rotatable Bonds
5