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
- 35307
- Core Entity Id
- 42432
- Source Entity Count
- 1
- Preferred Name
- Tinosposide b
- Name En
- Pubchem Id
- 101345606
- Smiles Canonical
- COC1=C(C=C(C=C1)C(C2COC(C2CO)C3=CC(=C(C=C3)OC4C(C(C(C(O4)CO)O)O)O)OC)O)OC
- Molecular Formula
- C27H36O12
- Molecular Weight
- 552.5730
- Inchikey
- NTFSDDAPJUZHPD-IDXGSDNJSA-N
- Inchi
- InChI=1S/C27H36O12/c1-34-17-6-4-13(8-19(17)35-2)22(30)16-12-37-26(15(16)10-28)14-5-7-18(20(9-14)36-3)38-27-25(33)24(32)23(31)21(11-29)39-27/h4-9,15-16,21-33H,10-12H2,1-3H3/t15-,16+,21+,22-,23+,24-,25+,26+,27+/m0/s1
- Isomeric Smiles
- COC1=C(C=C(C=C1)[C@@H]([C@@H]2CO[C@@H]([C@H]2CO)C3=CC(=C(C=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)OC)O)OC
- Cas Id
- Ob Score
- Mol Logp
- -0.0793
- Num H Donors
- 6
- Num H Acceptors
- 12
- Num Rotatable Bonds
- 10
- Drug Likeness
- 0.2310
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Tinosposide B
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Tinosposide b
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Tinosposide b
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
中华青牛胆
Role
TCM_name
Source
TCMBank
Preferred
No
Name
ZHONG HUA QING NIU DAN
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Chinese Tinospora*
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
中华青牛胆ZHONG HUA QING NIU DANChinese Tinospora*
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN046477
Npass
NPC283832
Tcmid
21385
Pub Chem
101345606
Tcmbank
TCMBANKIN042085
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C27H36O12/c1-34-17-6-4-13(8-19(17)35-2)22(30)16-12-37-26(15(16)10-28)14-5-7-18(20(9-14)36-3)38-27-25(33)24(32)23(31)21(11-29)39-27/h4-9,15-16,21-33H,10-12H2,1-3H3/t15-,16+,21+,22-,23+,24-,25+,26+,27+/m0/s1
Mol Wt
552.5730000000002
Mol Log P
-0.07929999999999987
In Ch Ikey
NTFSDDAPJUZHPD-IDXGSDNJSA-N
Tcm Name
中华青牛胆
Tcm Name2
ZHONG HUA QING NIU DAN
Mol2 Path
/TCM_database/2007_3d_all/21401.mol2
Reference
4292
Num Hdonors
6
Tcm Name En
Chinese Tinospora*
Drug Likeness
0.231
Num Hacceptors
12
Isomeric Smiles
COC1=C(C=C(C=C1)[C@@H]([C@@H]2CO[C@@H]([C@H]2CO)C3=CC(=C(C=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)OC)O)OC
Canonical Smiles
COC1=C(C=C(C=C1)C(C2COC(C2CO)C3=CC(=C(C=C3)OC4C(C(C(C(O4)CO)O)O)O)OC)O)OC
Molecular Weight
552.6 g/mol
Molecular Formula
C27H36O12
Num Rotatable Bonds
10