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
- 18482
- Core Entity Id
- 23721
- Source Entity Count
- 1
- Preferred Name
- Erychroside
- Name En
- Pubchem Id
- 120756
- Smiles Canonical
- CC1C(C(CC(O1)OC2CCC3(C4CCC5(C(CCC5(C4CCC3(C2)O)O)C6=CC(=O)OC6)C)C=O)O)OC7C(C(C(CO7)O)O)O
- Molecular Formula
- C34H50O13
- Molecular Weight
- 666.7610
- Inchikey
- GPMRZMZJGUPWPZ-BRBRUXTHSA-N
- Inchi
- InChI=1S/C34H50O13/c1-17-29(47-30-28(40)27(39)24(37)15-44-30)23(36)12-26(45-17)46-19-3-8-32(16-35)21-4-7-31(2)20(18-11-25(38)43-14-18)6-10-34(31,42)22(21)5-9-33(32,41)13-19/h11,16-17,19-24,26-30,36-37,39-42H,3-10,12-15H2,1-2H3/t17-,19+,20-,21+,22-,23+,24-,26+,27+,28-,29-,30+,31-,32+,33+,34+/m1/s1
- Isomeric Smiles
- C[C@@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2CC[C@@]3([C@H]4CC[C@@]5([C@H](CC[C@@]5([C@@H]4CC[C@@]3(C2)O)O)C6=CC(=O)OC6)C)C=O)O)O[C@H]7[C@@H]([C@H]([C@@H](CO7)O)O)O
- Cas Id
- Ob Score
- Mol Logp
- 0.2425
- Num H Donors
- 6
- Num H Acceptors
- 13
- Num Rotatable Bonds
- 6
- Drug Likeness
- 0.1280
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Erychroside
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Erychroside
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Erychroside
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
erychroside
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(3S,5S,8R,9S,10S,13R,14S,17R)-5,14-dihydroxy-3-[(2R,4S,5S,6R)-4-hydroxy-6-methyl-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-13-methyl-17-(5-oxo-2H-uran-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde
Role
alias
Source
HERB_v2
Preferred
No
Name
(3S,5S,8R,9S,10S,13R,14S,17R)-5,14-dihydroxy-3-[(2R,4S,5S,6R)-4-hydroxy-6-methyl-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-13-methyl-17-(5-oxo-2H-uran-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde
Role
alias
Source
itcmdb_public
Preferred
No
Name
630-65-9
Role
alias
Source
itcmdb_public
Preferred
No
Name
630-65-9
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:229114
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:229114
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL393052
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL393052
Role
alias
Source
itcmdb_public
Preferred
No
Name
Card-20(22)-enolide, 3-((2,6-dideoxy-4-O-beta-D-xylopyranosyl-beta-D-ribo-hexopyranosyl)oxy)-5,14-dihydroxy-19-oxo-, (3-beta,5-beta)-
Role
alias
Source
HERB_v2
Preferred
No
Name
Card-20(22)-enolide, 3-((2,6-dideoxy-4-O-beta-D-xylopyranosyl-beta-D-ribo-hexopyranosyl)oxy)-5,14-dihydroxy-19-oxo-, (3-beta,5-beta)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID30978889
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID30978889
Role
alias
Source
HERB_v2
Preferred
No
Name
Erichroside
Role
alias
Source
HERB_v2
Preferred
No
Name
Erichroside
Role
alias
Source
itcmdb_public
Preferred
No
Name
NS00093805
Role
alias
Source
HERB_v2
Preferred
No
Name
NS00093805
Role
alias
Source
itcmdb_public
Preferred
No
Name
Strophanthidin, 3-(4-O-beta-D-xylosyl-beta-D-digitoxoside)
Role
alias
Source
itcmdb_public
Preferred
No
Name
Strophanthidin, 3-(4-O-beta-D-xylosyl-beta-D-digitoxoside)
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(3S,5S,8R,9S,10S,13R,14S,17R)-5,14-dihydroxy-3-[(2R,4S,5S,6R)-4-hydroxy-6-methyl-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-13-methyl-17-(5-oxo-2H-uran-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde630-65-9CHEBI:229114CHEMBL393052Card-20(22)-enolide, 3-((2,6-dideoxy-4-O-beta-D-xylopyranosyl-beta-D-ribo-hexopyranosyl)oxy)-5,14-dihydroxy-19-oxo-, (3-beta,5-beta)-DTXSID30978889ErichrosideNS00093805Strophanthidin, 3-(4-O-beta-D-xylosyl-beta-D-digitoxoside)
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN025630
Tcmid
7295
Tcm Id
22553225544547
Pub Chem
120756
Tcmbank
TCMBANKIN017517
Etcm Ingredient
Erychroside
Itcmdb Generated
ITX-INGREDIENT-4FC1EB5821FB
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C34H50O13/c1-17-29(47-30-28(40)27(39)24(37)15-44-30)23(36)12-26(45-17)46-19-3-8-32(16-35)21-4-7-31(2)20(18-11-25(38)43-14-18)6-10-34(31,42)22(21)5-9-33(32,41)13-19/h11,16-17,19-24,26-30,36-37,39-42H,3-10,12-15H2,1-2H3/t17-,19+,20-,21+,22-,23+,24-,26+,27+,28-,29-,30+,31-,32+,33+,34+/m1/s1
Mol Wt
666.7610000000005
Smiles
CC1C(C(CC(O1)OC2CCC3(C4CCC5(C(CCC5(C4CCC3(C2)O)O)C6=CC(=O)OC6)C)C=O)O)OC7C(C(C(CO7)O)O)O
Mol Log P
0.2425000000000027
In Ch Ikey
GPMRZMZJGUPWPZ-BRBRUXTHSA-N
Num Hdonors
6
Drug Likeness
0.128
Num Hacceptors
13
Isomeric Smiles
C[C@@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2CC[C@@]3([C@H]4CC[C@@]5([C@H](CC[C@@]5([C@@H]4CC[C@@]3(C2)O)O)C6=CC(=O)OC6)C)C=O)O)O[C@H]7[C@@H]([C@H]([C@@H](CO7)O)O)O
Canonical Smiles
CC1C(C(CC(O1)OC2CCC3(C4CCC5(C(CCC5(C4CCC3(C2)O)O)C6=CC(=O)OC6)C)C=O)O)OC7C(C(C(CO7)O)O)O
Herb Alias Names
630-65-9ErichrosideCHEMBL393052DTXSID30978889CHEBI:229114Strophanthidin, 3-(4-O-beta-D-xylosyl-beta-D-digitoxoside)Card-20(22)-enolide, 3-((2,6-dideoxy-4-O-beta-D-xylopyranosyl-beta-D-ribo-hexopyranosyl)oxy)-5,14-dihydroxy-19-oxo-, (3-beta,5-beta)-NS00093805(3S,5S,8R,9S,10S,13R,14S,17R)-5,14-dihydroxy-3-[(2R,4S,5S,6R)-4-hydroxy-6-methyl-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-13-methyl-17-(5-oxo-2H-uran-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde
Molecular Weight
666.330
Molecular Weight
666.8 g/mol
Molecular Formula
C34H50O13
Molecular Formula
C34H50O13
Molecular Formula
C34H50O13
Num Rotatable Bonds
6
Fda Maximum Daily Dose (Fdamdd)
0.949
Quantitative Estimate Of Drug Likeness（Qed）
0.169