Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
Click a node to open it in a new tab
Herb: 5Ingredient: 1Links: 5
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 32636
- Core Entity Id
- 39466
- Source Entity Count
- 1
- Preferred Name
- Sarmentoloside
- Name En
- Pubchem Id
- 441869
- Smiles Canonical
- CC1C(C(C(C(O1)OC2CCC3(C4C(CCC3(C2)O)C5(CCC(C5(CC4O)C)C6=CC(=O)OC6)O)CO)O)O)O
- Molecular Formula
- C29H44O11
- Molecular Weight
- 568.6600
- Inchikey
- BUGNRCRUPAIYMD-VBVNMADNSA-N
- Inchi
- InChI=1S/C29H44O11/c1-14-22(33)23(34)24(35)25(39-14)40-16-3-6-27(13-30)21-18(4-7-28(27,36)10-16)29(37)8-5-17(15-9-20(32)38-12-15)26(29,2)11-19(21)31/h9,14,16-19,21-25,30-31,33-37H,3-8,10-13H2,1-2H3/t14-,16-,17+,18+,19+,21+,22+,23+,24+,25-,26+,27-,28-,29-/m0/s1
- Isomeric Smiles
- C[C@H]1[C@H]([C@H]([C@H]([C@@H](O1)O[C@H]2CC[C@@]3([C@@H]4[C@@H](CC[C@@]3(C2)O)[C@]5(CC[C@@H]([C@]5(C[C@H]4O)C)C6=CC(=O)OC6)O)CO)O)O)O
- Cas Id
- Ob Score
- 11.0266
- Mol Logp
- -0.4858
- Num H Donors
- 7
- Num H Acceptors
- 11
- Num Rotatable Bonds
- 4
- Drug Likeness
- 0.1710
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Sarmentoloside
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Sarmentoloside
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Sarmentoloside
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Sarmentoloside
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Sarmentoloside
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
3-((3S,5S,8R,9S,10R,11R,13R,14S,17R)-5,11,14-trihydroxy-10-(hydroxymethyl)-13-methyl-3-((2R,3R,4R,5S,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl)oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta(a)phenanthren-17-yl)-2H-furan-5-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-((3S,5S,8R,9S,10R,11R,13R,14S,17R)-5,11,14-trihydroxy-10-(hydroxymethyl)-13-methyl-3-((2R,3R,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta(a)phenanthren-17-yl)-2H-furan-5-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-[(3S,5S,8R,9S,10R,11R,13R,14S,17R)-5,11,14-trihydroxy-10-(hydroxymethyl)-13-methyl-3-[(2R,3R,4R,5S,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
Role
alias
Source
HERB_v2
Preferred
No
Name
3-[(3S,5S,8R,9S,10R,11R,13R,14S,17R)-5,11,14-trihydroxy-10-(hydroxymethyl)-13-methyl-3-[(2R,3R,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
Role
alias
Source
TCMBank
Preferred
No
Name
3-[(3S,5S,8R,9S,10R,11R,13R,14S,17R)-5,11,14-trihydroxy-10-(hydroxymethyl)-13-methyl-3-[(2R,3R,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
Role
alias
Source
HERB_v2
Preferred
No
Name
6847-59-2
Role
alias
Source
itcmdb_public
Preferred
No
Name
6847-59-2
Role
alias
Source
HERB_v2
Preferred
No
Name
6847-59-2
Role
alias
Source
TCMBank
Preferred
No
Name
AC1L9BTB
Role
alias
Source
HERB_v2
Preferred
No
Name
AC1L9BTB
Role
alias
Source
itcmdb_public
Preferred
No
Name
AC1L9BTB
Role
alias
Source
TCMBank
Preferred
No
Name
C08878
Role
alias
Source
HERB_v2
Preferred
No
Name
C08878
Role
alias
Source
itcmdb_public
Preferred
No
Name
C08878
Role
alias
Source
TCMBank
Preferred
No
Name
CHEBI:9032
Role
alias
Source
TCMBank
Preferred
No
Name
DTXSID20331646
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID20331646
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID20331646
Role
alias
Source
TCMBank
Preferred
No
Name
Sarmentologenin 3-O-(6-deoxy-alpha-L-taloside)
Role
alias
Source
itcmdb_public
Preferred
No
Name
Sarmentologenin 3-O-(6-deoxy-alpha-L-taloside)
Role
alias
Source
TCMBank
Preferred
No
Name
Sarmentologenin 3-O-(6-deoxy-alpha-L-taloside)
Role
alias
Source
HERB_v2
Preferred
No
Name
sarmentoloside
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
3-((3S,5S,8R,9S,10R,11R,13R,14S,17R)-5,11,14-trihydroxy-10-(hydroxymethyl)-13-methyl-3-((2R,3R,4R,5S,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl)oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta(a)phenanthren-17-yl)-2H-furan-5-one3-((3S,5S,8R,9S,10R,11R,13R,14S,17R)-5,11,14-trihydroxy-10-(hydroxymethyl)-13-methyl-3-((2R,3R,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta(a)phenanthren-17-yl)-2H-furan-5-one3-[(3S,5S,8R,9S,10R,11R,13R,14S,17R)-5,11,14-trihydroxy-10-(hydroxymethyl)-13-methyl-3-[(2R,3R,4R,5S,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one3-[(3S,5S,8R,9S,10R,11R,13R,14S,17R)-5,11,14-trihydroxy-10-(hydroxymethyl)-13-methyl-3-[(2R,3R,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one6847-59-2AC1L9BTBC08878CHEBI:9032DTXSID20331646Sarmentologenin 3-O-(6-deoxy-alpha-L-taloside)
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN043173
Npass
NPC311516
Tcmid
19359
Tcmsp
MOL012146
Sym Map
SMIT12944SMIT17592
Pub Chem
441869
Tcmbank
TCMBANKIN019806
Etcm Ingredient
Sarmentoloside
Itcmdb Generated
ITX-INGREDIENT-160E71A32387
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C29H44O11/c1-14-22(33)23(34)24(35)25(39-14)40-16-3-6-27(13-30)21-18(4-7-28(27,36)10-16)29(37)8-5-17(15-9-20(32)38-12-15)26(29,2)11-19(21)31/h9,14,16-19,21-25,30-31,33-37H,3-8,10-13H2,1-2H3/t14-,16-,17+,18+,19+,21+,22+,23+,24+,25-,26+,27-,28-,29-/m0/s1
Mol Wt
568.6600000000005
Smiles
CC1C(C(C(C(O1)OC2CCC3(C4C(CCC3(C2)O)C5(CCC(C5(CC4O)C)C6=CC(=O)OC6)O)CO)O)O)O
Mol Log P
-0.4857999999999987
Version
v1,v2
In Ch Ikey
BUGNRCRUPAIYMD-VBVNMADNSA-N
Ob Score
11.0265588611.02655911.027
Suppress
1
Num Hdonors
7
Drug Likeness
0.171
Num Hacceptors
11
Isomeric Smiles
C[C@H]1[C@H]([C@H]([C@H]([C@@H](O1)O[C@H]2CC[C@@]3([C@@H]4[C@@H](CC[C@@]3(C2)O)[C@]5(CC[C@@H]([C@]5(C[C@H]4O)C)C6=CC(=O)OC6)O)CO)O)O)O
Molecule Weight
568.73
Canonical Smiles
CC1C(C(C(C(O1)OC2CCC3(C4C(CCC3(C2)O)C5(CCC(C5(CC4O)C)C6=CC(=O)OC6)O)CO)O)O)O
Herb Alias Names
6847-59-23-[(3S,5S,8R,9S,10R,11R,13R,14S,17R)-5,11,14-trihydroxy-10-(hydroxymethyl)-13-methyl-3-[(2R,3R,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-oneDTXSID20331646Sarmentologenin 3-O-(6-deoxy-alpha-L-taloside)C088783-[(3S,5S,8R,9S,10R,11R,13R,14S,17R)-5,11,14-trihydroxy-10-(hydroxymethyl)-13-methyl-3-[(2R,3R,4R,5S,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-oneAC1L9BTB3-((3S,5S,8R,9S,10R,11R,13R,14S,17R)-5,11,14-trihydroxy-10-(hydroxymethyl)-13-methyl-3-((2R,3R,4R,5S,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl)oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta(a)phenanthren-17-yl)-2H-furan-5-one3-((3S,5S,8R,9S,10R,11R,13R,14S,17R)-5,11,14-trihydroxy-10-(hydroxymethyl)-13-methyl-3-((2R,3R,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta(a)phenanthren-17-yl)-2H-furan-5-one
Molecular Weight
568.290
Molecular Weight
568.7 g/mol
Molecular Formula
C29H44O11
Molecular Formula
C29H44O11
Molecular Formula
C29H44O11
Num Rotatable Bonds
4
Link Ingredient Id
12944.0
Fda Maximum Daily Dose (Fdamdd)
0.946
Quantitative Estimate Of Drug Likeness（Qed）
0.236