Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 20375
- Core Entity Id
- 25827
- Source Entity Count
- 1
- Preferred Name
- Glochidionionoside b
- Name En
- Pubchem Id
- 10927206
- Smiles Canonical
- CC(CCC1C(=CC(=O)CC1(C)C)COC2C(C(C(C(O2)CO)O)O)O)O
- Molecular Formula
- C19H32O8
- Molecular Weight
- 388.4570
- Inchikey
- UYNYLGFPCBCXQG-YSJZTRIVSA-N
- Inchi
- InChI=1S/C19H32O8/c1-10(21)4-5-13-11(6-12(22)7-19(13,2)3)9-26-18-17(25)16(24)15(23)14(8-20)27-18/h6,10,13-18,20-21,23-25H,4-5,7-9H2,1-3H3/t10-,13-,14+,15+,16-,17+,18+/m0/s1
- Isomeric Smiles
- C[C@@H](CC[C@H]1C(=CC(=O)CC1(C)C)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O
- Cas Id
- Ob Score
- Mol Logp
- -0.4945
- Num H Donors
- 5
- Num H Acceptors
- 8
- Num Rotatable Bonds
- 7
- Drug Likeness
- 0.3940
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Glochidionionoside B
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Glochidionionoside b
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Glochidionionoside b
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
棰柱算盘子
Role
TCM_name
Source
TCMBank
Preferred
No
Name
CHUI ZHU SUAN PAN ZI
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Srilanka Glochidion
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
棰柱算盘子CHUI ZHU SUAN PAN ZISrilanka Glochidion
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN027979
Npass
NPC304045
Tcmid
8565
Pub Chem
10927206
Tcmbank
TCMBANKIN040572
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C19H32O8/c1-10(21)4-5-13-11(6-12(22)7-19(13,2)3)9-26-18-17(25)16(24)15(23)14(8-20)27-18/h6,10,13-18,20-21,23-25H,4-5,7-9H2,1-3H3/t10-,13-,14+,15+,16-,17+,18+/m0/s1
Mol Wt
388.4570000000001
Mol Log P
-0.4944999999999997
In Ch Ikey
UYNYLGFPCBCXQG-YSJZTRIVSA-N
Tcm Name
棰柱算盘子
Tcm Name2
CHUI ZHU SUAN PAN ZI
Mol2 Path
/TCM_database/2007_3d_all/08566.mol2
Reference
4323, 4543
Num Hdonors
5
Tcm Name En
Srilanka Glochidion
Drug Likeness
0.394
Num Hacceptors
8
Isomeric Smiles
C[C@@H](CC[C@H]1C(=CC(=O)CC1(C)C)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O
Canonical Smiles
CC(CCC1C(=CC(=O)CC1(C)C)COC2C(C(C(C(O2)CO)O)O)O)O
Molecular Weight
388.5 g/mol
Molecular Formula
C19H32O8
Num Rotatable Bonds
7