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
- 35983
- Core Entity Id
- 43185
- Source Entity Count
- 1
- Preferred Name
- Tuliposide b
- Name En
- Pubchem Id
- 441643
- Smiles Canonical
- C=C(C(CO)O)C(=O)OC1C(C(C(C(O1)CO)O)O)O
- Molecular Formula
- C11H18O9
- Molecular Weight
- 294.2560
- Inchikey
- KVRQQFBSAHPTAB-FUYPYFFWSA-N
- Inchi
- InChI=1S/C11H18O9/c1-4(5(14)2-12)10(18)20-11-9(17)8(16)7(15)6(3-13)19-11/h5-9,11-17H,1-3H2/t5?,6-,7-,8+,9-,11+/m1/s1
- Isomeric Smiles
- C=C(C(CO)O)C(=O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
- Cas Id
- Ob Score
- Mol Logp
- -3.7611
- Num H Donors
- 6
- Num H Acceptors
- 9
- Num Rotatable Bonds
- 5
- Drug Likeness
- 0.2210
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Tuliposide B
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Tuliposide b
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Tuliposide b
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
tuliposide b
Role
preferred
Source
TCMBank
Preferred
Yes
Name
((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl) 3,4-dihydroxy-2-methylene-butanoate
Role
alias
Source
itcmdb_public
Preferred
No
Name
19870-33-8
Role
alias
Source
HERB_v2
Preferred
No
Name
19870-33-8
Role
alias
Source
itcmdb_public
Preferred
No
Name
AC1L9BES
Role
alias
Source
HERB_v2
Preferred
No
Name
AC1L9BES
Role
alias
Source
itcmdb_public
Preferred
No
Name
C08570
Role
alias
Source
itcmdb_public
Preferred
No
Name
C08570
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:9778
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:9778
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXCID90282696
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXCID90282696
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID80331602
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID80331602
Role
alias
Source
itcmdb_public
Preferred
No
Name
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 3,4-dihydroxy-2-methylidenebutanoate
Role
alias
Source
itcmdb_public
Preferred
No
Name
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 3,4-dihydroxy-2-methylidenebutanoate
Role
alias
Source
HERB_v2
Preferred
No
Name
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] 3,4-dihydroxy-2-methylene-butanoate
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl) 3,4-dihydroxy-2-methylene-butanoate19870-33-8AC1L9BESC08570CHEBI:9778DTXCID90282696DTXSID80331602[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 3,4-dihydroxy-2-methylidenebutanoate[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] 3,4-dihydroxy-2-methylene-butanoate
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN047343
Tcmid
22089
Tcm Id
24169314
Pub Chem
441643
Tcmbank
TCMBANKIN011136
Etcm Ingredient
Tuliposide B
Itcmdb Generated
ITX-INGREDIENT-C6FFFE4D071E
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C11H18O9/c1-4(5(14)2-12)10(18)20-11-9(17)8(16)7(15)6(3-13)19-11/h5-9,11-17H,1-3H2/t5?,6-,7-,8+,9-,11+/m1/s1
Mol Wt
294.256
Smiles
C=C(C(CO)O)C(=O)OC1C(C(C(C(O1)CO)O)O)O
Mol Log P
-3.761099999999998
In Ch Ikey
KVRQQFBSAHPTAB-FUYPYFFWSA-N
Num Hdonors
6
Drug Likeness
0.221
Num Hacceptors
9
Isomeric Smiles
C=C(C(CO)O)C(=O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
Canonical Smiles
C=C(C(CO)O)C(=O)OC1C(C(C(C(O1)CO)O)O)O
Herb Alias Names
19870-33-8DTXSID80331602[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 3,4-dihydroxy-2-methylidenebutanoateC08570[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] 3,4-dihydroxy-2-methylene-butanoateAC1L9BES((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl) 3,4-dihydroxy-2-methylene-butanoateCHEBI:9778DTXCID90282696
Molecular Weight
294.100
Molecular Weight
294.25 g/mol
Molecular Formula
C11H18O9
Molecular Formula
C11H18O9
Molecular Formula
C11H18O9
Num Rotatable Bonds
5
Fda Maximum Daily Dose (Fdamdd)
0.005
Quantitative Estimate Of Drug Likeness（Qed）
0.221