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
- 33861
- Core Entity Id
- 40834
- Source Entity Count
- 1
- Preferred Name
- Staphylionoside c
- Name En
- Pubchem Id
- 11327159
- Smiles Canonical
- CC(C=CC12C(CC(C(C1(O2)C)O)O)(C)C)OC3C(C(C(C(O3)CO)O)O)O
- Molecular Formula
- C19H32O9
- Molecular Weight
- 404.4560
- Inchikey
- JNLJEAYKDJYBAA-YKTJNLDLSA-N
- Inchi
- InChI=1S/C19H32O9/c1-9(26-16-14(24)13(23)12(22)11(8-20)27-16)5-6-19-17(2,3)7-10(21)15(25)18(19,4)28-19/h5-6,9-16,20-25H,7-8H2,1-4H3/b6-5+/t9-,10-,11+,12+,13-,14+,15-,16+,18+,19-/m0/s1
- Isomeric Smiles
- C[C@@H](/C=C/[C@]12[C@](O1)([C@H]([C@H](CC2(C)C)O)O)C)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
- Cas Id
- Ob Score
- Mol Logp
- -1.5730
- Num H Donors
- 6
- Num H Acceptors
- 9
- Num Rotatable Bonds
- 5
- Drug Likeness
- 0.2360
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Staphylionoside C
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Staphylionoside c
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Staphylionoside c
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
省沽油
Role
TCM_name
Source
TCMBank
Preferred
No
Name
SHENG GU YOU
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Bumalda Bladdernut
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
省沽油SHENG GU YOUBumalda Bladdernut
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN044712
Npass
NPC133978
Tcmid
20250
Pub Chem
11327159
Tcmbank
TCMBANKIN039622
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C19H32O9/c1-9(26-16-14(24)13(23)12(22)11(8-20)27-16)5-6-19-17(2,3)7-10(21)15(25)18(19,4)28-19/h5-6,9-16,20-25H,7-8H2,1-4H3/b6-5+/t9-,10-,11+,12+,13-,14+,15-,16+,18+,19-/m0/s1
Mol Wt
404.4560000000001
Mol Log P
-1.572999999999998
In Ch Ikey
JNLJEAYKDJYBAA-YKTJNLDLSA-N
Tcm Name
省沽油
Tcm Name2
SHENG GU YOU
Mol2 Path
/TCM_database/2007_3d_all/20266.mol2
Reference
4478
Num Hdonors
6
Tcm Name En
Bumalda Bladdernut
Drug Likeness
0.236
Num Hacceptors
9
Isomeric Smiles
C[C@@H](/C=C/[C@]12[C@](O1)([C@H]([C@H](CC2(C)C)O)O)C)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
Canonical Smiles
CC(C=CC12C(CC(C(C1(O2)C)O)O)(C)C)OC3C(C(C(C(O3)CO)O)O)O
Molecular Weight
404.5 g/mol
Molecular Formula
C19H32O9
Num Rotatable Bonds
5