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
- 12738
- Core Entity Id
- 17329
- Source Entity Count
- 1
- Preferred Name
- Bipindaloside
- Name En
- Pubchem Id
- 201559
- Smiles Canonical
- CC1C(C(C(C(O1)OC2CCC3(C4C(CCC3(C2)O)C5(CCC(C5(CC4O)C)C6=CC(=O)OC6)O)C)O)OC)O
- Molecular Formula
- C30H46O10
- Molecular Weight
- 566.6880
- Inchikey
- IGCZNTHBCXYVIT-UHFFFAOYSA-N
- Inchi
- InChI=1S/C30H46O10/c1-15-23(33)25(37-4)24(34)26(39-15)40-17-5-8-27(2)22-19(6-9-29(27,35)12-17)30(36)10-7-18(16-11-21(32)38-14-16)28(30,3)13-20(22)31/h11,15,17-20,22-26,31,33-36H,5-10,12-14H2,1-4H3
- Isomeric Smiles
- CC1C(C(C(C(O1)OC2CCC3(C4C(CCC3(C2)O)C5(CCC(C5(CC4O)C)C6=CC(=O)OC6)O)C)O)OC)O
- Cas Id
- Ob Score
- Mol Logp
- 1.1959
- Num H Donors
- 5
- Num H Acceptors
- 10
- Num Rotatable Bonds
- 4
- Drug Likeness
- 0.2480
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Bipindaloside
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Bipindaloside
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Bipindaloside
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
社论羊角拗
Role
TCM_name
Source
TCMBank
Preferred
No
Name
SE LUN YANG JIAO AO
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Thollon Strophanthus*
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
3-[(6-Deoxy-3-O-methylhexopyranosyl)oxy]-5,11,14-trihydroxycard-20(22)-enolide
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-[(6-Deoxy-3-O-methylhexopyranosyl)oxy]-5,11,14-trihydroxycard-20(22)-enolide
Role
alias
Source
HERB_v2
Preferred
No
Name
4-18-00-03087 (Beilstein Handbook Reference)
Role
alias
Source
itcmdb_public
Preferred
No
Name
4-18-00-03087 (Beilstein Handbook Reference)
Role
alias
Source
HERB_v2
Preferred
No
Name
6246-81-7
Role
alias
Source
HERB_v2
Preferred
No
Name
6246-81-7
Role
alias
Source
itcmdb_public
Preferred
No
Name
BRN 0071531
Role
alias
Source
itcmdb_public
Preferred
No
Name
BRN 0071531
Role
alias
Source
HERB_v2
Preferred
No
Name
Bipindogenin-D-digitalosid
Role
alias
Source
itcmdb_public
Preferred
No
Name
Bipindogenin-D-digitalosid
Role
alias
Source
HERB_v2
Preferred
No
Name
Bipindogenin-D-digitalosid [German]
Role
alias
Source
HERB_v2
Preferred
No
Name
Bipindogenin-D-digitalosid [German]
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID50978028
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID50978028
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
社论羊角拗SE LUN YANG JIAO AOThollon Strophanthus*3-[(6-Deoxy-3-O-methylhexopyranosyl)oxy]-5,11,14-trihydroxycard-20(22)-enolide4-18-00-03087 (Beilstein Handbook Reference)6246-81-7BRN 0071531Bipindogenin-D-digitalosidBipindogenin-D-digitalosid [German]DTXSID50978028
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN018540
Tcmid
2399
Pub Chem
201559
Tcmbank
TCMBANKIN044944
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C30H46O10/c1-15-23(33)25(37-4)24(34)26(39-15)40-17-5-8-27(2)22-19(6-9-29(27,35)12-17)30(36)10-7-18(16-11-21(32)38-14-16)28(30,3)13-20(22)31/h11,15,17-20,22-26,31,33-36H,5-10,12-14H2,1-4H3
Mol Wt
566.6880000000004
Mol Log P
1.1959
In Ch Ikey
IGCZNTHBCXYVIT-UHFFFAOYSA-N
Tcm Name
社论羊角拗
Tcm Name2
SE LUN YANG JIAO AO
Mol2 Path
/TCM_database/2007_3d_all/02399.mol2
Reference
658
Num Hdonors
5
Tcm Name En
Thollon Strophanthus*
Drug Likeness
0.248
Num Hacceptors
10
Isomeric Smiles
CC1C(C(C(C(O1)OC2CCC3(C4C(CCC3(C2)O)C5(CCC(C5(CC4O)C)C6=CC(=O)OC6)O)C)O)OC)O
Canonical Smiles
CC1C(C(C(C(O1)OC2CCC3(C4C(CCC3(C2)O)C5(CCC(C5(CC4O)C)C6=CC(=O)OC6)O)C)O)OC)O
Herb Alias Names
6246-81-7Bipindogenin-D-digitalosid [German]Bipindogenin-D-digitalosidBRN 00715314-18-00-03087 (Beilstein Handbook Reference)DTXSID509780283-[(6-Deoxy-3-O-methylhexopyranosyl)oxy]-5,11,14-trihydroxycard-20(22)-enolide
Molecular Weight
566.7 g/mol
Molecular Formula
C30H46O10
Num Rotatable Bonds
4