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
- 37016
- Core Entity Id
- 44344
- Source Entity Count
- 1
- Preferred Name
- Yopaaoside c
- Name En
- Pubchem Id
- 6324826
- Smiles Canonical
- COC(=O)C1=COC(C2C1C(C(C2CO)O)O)OC3C(C(C(C(O3)CO)O)O)O
- Molecular Formula
- C17H26O12
- Molecular Weight
- 422.3830
- Inchikey
- JDBBFQGXBSMMHP-WQKXBZLFSA-N
- Inchi
- InChI=1S/C17H26O12/c1-26-15(25)6-4-27-16(9-5(2-18)10(20)12(22)8(6)9)29-17-14(24)13(23)11(21)7(3-19)28-17/h4-5,7-14,16-24H,2-3H2,1H3/t5-,7-,8-,9-,10-,11-,12-,13+,14-,16+,17+/m1/s1
- Isomeric Smiles
- COC(=O)C1=CO[C@H]([C@H]2[C@@H]1[C@H]([C@@H]([C@@H]2CO)O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
- Cas Id
- Ob Score
- Mol Logp
- -4.2076
- Num H Donors
- 7
- Num H Acceptors
- 12
- Num Rotatable Bonds
- 5
- Drug Likeness
- 0.2110
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Yopaaoside C
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Yopaaoside c
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Yopaaoside c
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
泰国巴戟
Role
TCM_name
Source
TCMBank
Preferred
No
Name
TAI GUO BA JI
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Thailand Indianmulberry*
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
泰国巴戟TAI GUO BA JIThailand Indianmulberry*
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN048654
Npass
NPC59234
Tcmid
22912
Pub Chem
6324826
Tcmbank
TCMBANKIN045257
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C17H26O12/c1-26-15(25)6-4-27-16(9-5(2-18)10(20)12(22)8(6)9)29-17-14(24)13(23)11(21)7(3-19)28-17/h4-5,7-14,16-24H,2-3H2,1H3/t5-,7-,8-,9-,10-,11-,12-,13+,14-,16+,17+/m1/s1
Mol Wt
422.3830000000002
Mol Log P
-4.207599999999996
In Ch Ikey
JDBBFQGXBSMMHP-WQKXBZLFSA-N
Tcm Name
泰国巴戟
Tcm Name2
TAI GUO BA JI
Mol2 Path
/TCM_database/2007_3d_all/22928.mol2
Reference
2002
Num Hdonors
7
Tcm Name En
Thailand Indianmulberry*
Drug Likeness
0.211
Num Hacceptors
12
Isomeric Smiles
COC(=O)C1=CO[C@H]([C@H]2[C@@H]1[C@H]([C@@H]([C@@H]2CO)O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
Canonical Smiles
COC(=O)C1=COC(C2C1C(C(C2CO)O)O)OC3C(C(C(C(O3)CO)O)O)O
Molecular Formula
C17H26O12
Num Rotatable Bonds
5