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
- 20371
- Core Entity Id
- 25823
- Source Entity Count
- 1
- Preferred Name
- Glochidacuminoside d
- Name En
- Pubchem Id
- 21577092
- Smiles Canonical
- C1=CC(=CC=C1C(C#N)OC2C(C(C(C(O2)CO)O)O)OC(=O)C3=CC(=C(C(=C3)O)O)O)O
- Molecular Formula
- C21H21NO11
- Molecular Weight
- 463.3950
- Inchikey
- BPGKGGZOJNCPKJ-IHGRRFEYSA-N
- Inchi
- InChI=1S/C21H21NO11/c22-7-14(9-1-3-11(24)4-2-9)31-21-19(18(29)17(28)15(8-23)32-21)33-20(30)10-5-12(25)16(27)13(26)6-10/h1-6,14-15,17-19,21,23-29H,8H2/t14-,15-,17-,18+,19-,21-/m1/s1
- Isomeric Smiles
- C1=CC(=CC=C1[C@@H](C#N)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)OC(=O)C3=CC(=C(C(=C3)O)O)O)O
- Cas Id
- Ob Score
- Mol Logp
- -0.2451
- Num H Donors
- 7
- Num H Acceptors
- 12
- Num Rotatable Bonds
- 6
- Drug Likeness
- 0.2180
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Glochidacuminoside D
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Glochidacuminoside d
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Glochidacuminoside d
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
渐尖算盘子
Role
TCM_name
Source
TCMBank
Preferred
No
Name
JIAN JIAN SUAN PAN ZI
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Acuminate Glochidion*
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
渐尖算盘子JIAN JIAN SUAN PAN ZIAcuminate Glochidion*
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN027975
Npass
NPC191501
Tcmid
8561
Pub Chem
21577092
Tcmbank
TCMBANKIN048249
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C21H21NO11/c22-7-14(9-1-3-11(24)4-2-9)31-21-19(18(29)17(28)15(8-23)32-21)33-20(30)10-5-12(25)16(27)13(26)6-10/h1-6,14-15,17-19,21,23-29H,8H2/t14-,15-,17-,18+,19-,21-/m1/s1
Mol Wt
463.3950000000002
Mol Log P
-0.2451200000000009
In Ch Ikey
BPGKGGZOJNCPKJ-IHGRRFEYSA-N
Tcm Name
渐尖算盘子
Tcm Name2
JIAN JIAN SUAN PAN ZI
Mol2 Path
/TCM_database/2007_3d_all/08562.mol2
Reference
4286
Num Hdonors
7
Tcm Name En
Acuminate Glochidion*
Drug Likeness
0.218
Num Hacceptors
12
Isomeric Smiles
C1=CC(=CC=C1[C@@H](C#N)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)OC(=O)C3=CC(=C(C(=C3)O)O)O)O
Canonical Smiles
C1=CC(=CC=C1C(C#N)OC2C(C(C(C(O2)CO)O)O)OC(=O)C3=CC(=C(C(=C3)O)O)O)O
Molecular Weight
463.4 g/mol
Molecular Formula
C21H21NO11
Num Rotatable Bonds
6