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
- 17651
- Core Entity Id
- 22790
- Source Entity Count
- 1
- Preferred Name
- Dulcinoside
- Name En
- Pubchem Id
- 44257719
- Smiles Canonical
- CC1C(C(C(C(O1)OCC2C(C(C(C(O2)C3=C(C4=C(C=C3O)OC(=CC4=O)C5=CC=C(C=C5)O)O)O)O)O)O)O)O
- Molecular Formula
- C27H30O14
- Molecular Weight
- 578.5230
- Inchikey
- FESGFDALJOTSAP-WBWDCKPMSA-N
- Inchi
- InChI=1S/C27H30O14/c1-9-19(31)22(34)25(37)27(39-9)38-8-16-20(32)23(35)24(36)26(41-16)18-13(30)7-15-17(21(18)33)12(29)6-14(40-15)10-2-4-11(28)5-3-10/h2-7,9,16,19-20,22-28,30-37H,8H2,1H3/t9?,16?,19-,20+,22?,23-,24?,25-,26-,27+/m0/s1
- Isomeric Smiles
- CC1[C@@H](C([C@@H]([C@@H](O1)OCC2[C@H]([C@@H](C([C@@H](O2)C3=C(C4=C(C=C3O)OC(=CC4=O)C5=CC=C(C=C5)O)O)O)O)O)O)O)O
- Cas Id
- Ob Score
- Mol Logp
- -1.0565
- Num H Donors
- 9
- Num H Acceptors
- 14
- Num Rotatable Bonds
- 5
- Drug Likeness
- 0.1750
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Dulcinoside
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Dulcinoside
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Dulcinoside
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Dulcinoside
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
dulcinoside
Role
preferred
Source
TCMBank
Preferred
Yes
Name
6-[6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
6-[6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
Isovitexin 6''-O-rhamnoside
Role
alias
Source
HERB_v2
Preferred
No
Name
Isovitexin 6''-O-rhamnoside
Role
alias
Source
itcmdb_public
Preferred
No
Name
LMPK12110263
Role
alias
Source
itcmdb_public
Preferred
No
Name
LMPK12110263
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
6-[6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-oneIsovitexin 6''-O-rhamnosideLMPK12110263
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN024546
Npass
NPC301826
Tcmid
6622
Sym Map
SMIT23696
Pub Chem
44257719
Tcmbank
TCMBANKIN041503
Attributes
Merged source attributes and domain-specific metadata.
Type
Blood ingredients
In Ch I
InChI=1S/C27H30O14/c1-9-19(31)22(34)25(37)27(39-9)38-8-16-20(32)23(35)24(36)26(41-16)18-13(30)7-15-17(21(18)33)12(29)6-14(40-15)10-2-4-11(28)5-3-10/h2-7,9,16,19-20,22-28,30-37H,8H2,1H3/t9?,16?,19-,20+,22?,23-,24?,25-,26-,27+/m0/s1
Mol Wt
578.5230000000005
Smiles
CC1C(C(C(C(O1)OCC2C(C(C(C(O2)C3=C(C4=C(C=C3O)OC(=CC4=O)C5=CC=C(C=C5)O)O)O)O)O)O)O)O
Mol Log P
-1.0565
Version
v2
In Ch Ikey
FESGFDALJOTSAP-WBWDCKPMSA-N
Suppress
0
Mol2 Path
/TCM_database/2007_3d_all/06623.mol2
Reference
5319
Num Hdonors
9
Drug Likeness
0.175
Num Hacceptors
14
Isomeric Smiles
CC1[C@@H](C([C@@H]([C@@H](O1)OCC2[C@H]([C@@H](C([C@@H](O2)C3=C(C4=C(C=C3O)OC(=CC4=O)C5=CC=C(C=C5)O)O)O)O)O)O)O)O
Canonical Smiles
CC1C(C(C(C(O1)OCC2C(C(C(C(O2)C3=C(C4=C(C=C3O)OC(=CC4=O)C5=CC=C(C=C5)O)O)O)O)O)O)O)O
Herb Alias Names
Isovitexin 6''-O-rhamnoside6-[6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-oneLMPK12110263
Molecular Weight
578.5 g/mol
Molecule Formula
C27H30O14
Molecular Formula
C27H30O14
Molecular Formula
C27H30O14
Num Rotatable Bonds
5