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
- 9974
- Core Entity Id
- 14253
- Source Entity Count
- 1
- Preferred Name
- Alangionoside ｊ
- Name En
- Pubchem Id
- 101924227
- Smiles Canonical
- CC1CC(CC(C1CCC(C)O)(C)C)OC2C(C(C(C(O2)CO)O)O)O
- Molecular Formula
- C19H36O7
- Molecular Weight
- 376.4900
- Inchikey
- SWEFBSBXBXTOAX-PZKIOYHUSA-N
- Inchi
- InChI=1S/C19H36O7/c1-10-7-12(8-19(3,4)13(10)6-5-11(2)21)25-18-17(24)16(23)15(22)14(9-20)26-18/h10-18,20-24H,5-9H2,1-4H3/t10-,11+,12-,13+,14+,15+,16-,17+,18+/m0/s1
- Isomeric Smiles
- C[C@H]1C[C@@H](CC([C@@H]1CC[C@@H](C)O)(C)C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
- Cas Id
- Ob Score
- Mol Logp
- 0.4048
- Num H Donors
- 5
- Num H Acceptors
- 7
- Num Rotatable Bonds
- 6
- Drug Likeness
- 0.4550
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Alangionoside ｊ
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Alangionoside ｊ
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
alangionoside Ｊ
Role
preferred
Source
TCMBank
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN015034
Tcmid
35356
Pub Chem
101924227
Tcmbank
TCMBANKIN029793
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C19H36O7/c1-10-7-12(8-19(3,4)13(10)6-5-11(2)21)25-18-17(24)16(23)15(22)14(9-20)26-18/h10-18,20-24H,5-9H2,1-4H3/t10-,11+,12-,13+,14+,15+,16-,17+,18+/m0/s1
Mol Wt
376.4900000000001
Smiles
CC1CC(CC(C1CCC(C)O)(C)C)OC2C(C(C(C(O2)CO)O)O)O
Mol Log P
0.4048000000000001
In Ch Ikey
SWEFBSBXBXTOAX-PZKIOYHUSA-N
Num Hdonors
5
Drug Likeness
0.455
Num Hacceptors
7
Isomeric Smiles
C[C@H]1C[C@@H](CC([C@@H]1CC[C@@H](C)O)(C)C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
Canonical Smiles
CC1CC(CC(C1CCC(C)O)(C)C)OC2C(C(C(C(O2)CO)O)O)O
Molecular Formula
C19H36O7
Molecular Formula
C19H36O7
Num Rotatable Bonds
6