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
- 34820
- Core Entity Id
- 41891
- Source Entity Count
- 1
- Preferred Name
- Tenacissoside k
- Name En
- Pubchem Id
- 177823871
- Smiles Canonical
- CC1C(C(CC(O1)OC2CCC3(C(C2)CCC4(C3CC(C5(C4(CCC5(C(C)O)O)O)C)OC(=O)C6=CC=CC=C6)O)C)OC)OC7CC(C(C(O7)C)OC8C(C(C(C(O8)C)OC9C(C(C(C(O9)CO)O)O)O)OC)O)OC
- Molecular Formula
- C55H86O22
- Molecular Weight
- 1099.3000
- Inchikey
- WICCAQFYQZNGGX-WQMNWAPJSA-N
- Inchi
- InChI=1S/C55H86O22/c1-26-44(75-39-23-34(67-8)45(27(2)70-39)76-50-43(61)47(68-9)46(28(3)71-50)77-49-42(60)41(59)40(58)35(25-56)73-49)33(66-7)22-38(69-26)72-32-16-17-51(5)31(21-32)15-18-54(64)36(51)24-37(74-48(62)30-13-11-10-12-14-30)52(6)53(63,29(4)57)19-20-55(52,54)65/h10-14,26-29,31-47,49-50,56-61,63-65H,15-25H2,1-9H3/t26-,27-,28-,29?,31+,32+,33+,34-,35-,36-,37-,38+,39+,40-,41+,42-,43-,44-,45-,46-,47+,49+,50+,51+,52-,53-,54+,55-/m1/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 1.0000
- Num H Donors
- 9
- Num H Acceptors
- 22
- Num Rotatable Bonds
- 16
- Drug Likeness
- Polar Surface Area
- 310.0000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Tenacissoside K
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Tenacissoside K
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Tenacissoside k
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Tenacissoside k
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
tenacissoside k
Role
preferred
Source
TCMBank
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN045874
Tcmid
20915
Sym Map
SMIT27034
Tcmbank
TCMBANKIN050223
Itcmdb Generated
ITX-INGREDIENT-2E8C1EA392D7
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
Version
v2
Suppress
0
Mol2 Path
/TCM_database/2007_3d_all/20931.mol2
Reference
4837
Molecular Formula
C55H86O22
Molecular Formula
C55H86O22