Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 9Ingredient: 1Links: 9
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 64413
- Core Entity Id
- 111431
- Source Entity Count
- 1
- Preferred Name
- Notoginsenoside Rg1
- Name En
- Pubchem Id
- 75412551
- Smiles Canonical
- CC1C(C(C(C(O1)OC2C(C(C(OC2OC3CC4(C(CC(C5C4(CCC5C(C)(CCC=C(C)C)O)C)O)C6(C3C(C(CC6)O)(C)C)C)C)CO)O)O)O)O)O
- Molecular Formula
- C42H72O13
- Molecular Weight
- 785.0000
- Inchikey
- AGBCLJAHARWNLA-RPNKVCLTSA-N
- Inchi
- InChI=1S/C42H72O13/c1-20(2)11-10-14-42(9,51)22-12-16-40(7)28(22)23(44)17-26-39(6)15-13-27(45)38(4,5)35(39)24(18-41(26,40)8)53-37-34(32(49)30(47)25(19-43)54-37)55-36-33(50)31(48)29(46)21(3)52-36/h11,21-37,43-51H,10,12-19H2,1-9H3/t21-,22-,23+,24-,25+,26+,27-,28-,29-,30+,31+,32-,33+,34+,35-,36-,37+,39+,40+,41+,42+/m0/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 3.2000
- Num H Donors
- 9
- Num H Acceptors
- 13
- Num Rotatable Bonds
- 9
- Drug Likeness
- Polar Surface Area
- 219.0000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Notoginsenoside Rg1
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Notoginsenoside Rg1
Role
preferred
Source
SymMap_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Sym Map
SMIT25754
Itcmdb Generated
ITX-INGREDIENT-4BD1AD5763F3
Attributes
Merged source attributes and domain-specific metadata.
Type
Blood ingredients
Version
v2
Suppress
0