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
- 34486
- Core Entity Id
- 41527
- Source Entity Count
- 1
- Preferred Name
- Tanegoside
- Name En
- Pubchem Id
- 101345607
- Smiles Canonical
- COC1=C(C=CC(=C1)C2C(C(CO2)C(C3=CC(=C(C=C3)O)OC)OC4C(C(C(C(O4)CO)O)O)O)CO)O
- Molecular Formula
- C26H34O12
- Molecular Weight
- 538.5460
- Inchikey
- WMABCPOXSNGIJO-ABXNQLLSSA-N
- Inchi
- InChI=1S/C26H34O12/c1-34-18-7-12(3-5-16(18)29)24-14(9-27)15(11-36-24)25(13-4-6-17(30)19(8-13)35-2)38-26-23(33)22(32)21(31)20(10-28)37-26/h3-8,14-15,20-33H,9-11H2,1-2H3/t14-,15+,20+,21+,22-,23+,24+,25?,26-/m0/s1
- Isomeric Smiles
- COC1=C(C=CC(=C1)[C@@H]2[C@H]([C@@H](CO2)C(C3=CC(=C(C=C3)O)OC)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)CO)O
- Cas Id
- Ob Score
- Mol Logp
- -0.0312
- Num H Donors
- 7
- Num H Acceptors
- 12
- Num Rotatable Bonds
- 9
- Drug Likeness
- 0.2260
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Tanegoside
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Tanegoside
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
tanegoside
Role
preferred
Source
TCMBank
Preferred
Yes
Name
131653-21-9
Role
alias
Source
itcmdb_public
Preferred
No
Name
131653-21-9
Role
alias
Source
HERB_v2
Preferred
No
Name
CS-0891664
Role
alias
Source
itcmdb_public
Preferred
No
Name
CS-0891664
Role
alias
Source
HERB_v2
Preferred
No
Name
HY-N12094
Role
alias
Source
itcmdb_public
Preferred
No
Name
HY-N12094
Role
alias
Source
HERB_v2
Preferred
No
Name
Tanegoside A
Role
alias
Source
itcmdb_public
Preferred
No
Name
Tanegoside A
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
131653-21-9CS-0891664HY-N12094Tanegoside A
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN045468
Npass
NPC114425
Tcmid
20653
Pub Chem
101345607168679844
Tcmbank
TCMBANKIN048206
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C26H34O12/c1-34-18-7-12(3-5-16(18)29)24-14(9-27)15(11-36-24)25(13-4-6-17(30)19(8-13)35-2)38-26-23(33)22(32)21(31)20(10-28)37-26/h3-8,14-15,20-33H,9-11H2,1-2H3/t14-,15+,20+,21+,22-,23+,24+,25?,26-/m0/s1
Mol Wt
538.5460000000003
Smiles
COC1=C(C=CC(=C1)C2C(C(CO2)C(C3=CC(=C(C=C3)O)OC)OC4C(C(C(C(O4)CO)O)O)O)CO)O
Mol Log P
-0.03120000000000023
In Ch Ikey
WMABCPOXSNGIJO-ABXNQLLSSA-N
Mol2 Path
/TCM_database/2007_3d_all/20669.mol2
Reference
4292
Num Hdonors
7
Drug Likeness
0.226
Num Hacceptors
12
Isomeric Smiles
COC1=C(C=CC(=C1)[C@@H]2[C@H]([C@@H](CO2)C(C3=CC(=C(C=C3)O)OC)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)CO)O
Canonical Smiles
COC1=C(C=CC(=C1)C2C(C(CO2)C(C3=CC(=C(C=C3)O)OC)OC4C(C(C(C(O4)CO)O)O)O)CO)O
Herb Alias Names
Tanegoside A131653-21-9HY-N12094CS-0891664
Molecular Weight
538.5 g/mol
Molecular Formula
C26H34O12
Molecular Formula
C26H34O12
Num Rotatable Bonds
9