Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 19018
- Core Entity Id
- 24317
- Source Entity Count
- 1
- Preferred Name
- Evomonoside
- Name En
- Pubchem Id
- 12308635
- Smiles Canonical
- CC1C(C(C(C(O1)OC2CCC3(C(C2)CCC4C3CCC5(C4(CCC5C6=CC(=O)OC6)O)C)C)O)O)O
- Molecular Formula
- C29H44O8
- Molecular Weight
- 520.6630
- Inchikey
- WQMLFJWIKARBFW-BKKMTDGVSA-N
- Inchi
- InChI=1S/C29H44O8/c1-15-23(31)24(32)25(33)26(36-15)37-18-6-9-27(2)17(13-18)4-5-21-20(27)7-10-28(3)19(8-11-29(21,28)34)16-12-22(30)35-14-16/h12,15,17-21,23-26,31-34H,4-11,13-14H2,1-3H3/t15-,17+,18-,19+,20-,21+,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](C2)CC[C@@H]4[C@@H]3CC[C@]5([C@@]4(CC[C@@H]5C6=CC(=O)OC6)O)C)C)O)O)O
- Cas Id
- 508-93-0
- Ob Score
- 12.2428
- Mol Logp
- 2.4561
- Num H Donors
- 4
- Num H Acceptors
- 8
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.3300
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Evomonoside
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Evomonoside
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Evomonoside
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Evomonoside
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
evomonoside
Role
preferred
Source
TCMBank
Preferred
Yes
Name
evomonoside
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
3-[(3S,5R,8R,9S,10S,13R,14S,17R)-14-hydroxy-10,13-dimethyl-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
Role
alias
Source
HERB_v2
Preferred
No
Name
3-[(3S,5R,8R,9S,10S,13R,14S,17R)-14-hydroxy-10,13-dimethyl-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
3beta-(6-deoxy-alpha-L-mannopyranosyloxy)-14-hydroxy-5beta-card-20(22)-enolide
Role
alias
Source
HERB_v2
Preferred
No
Name
3beta-(6-deoxy-alpha-L-mannopyranosyloxy)-14-hydroxy-5beta-card-20(22)-enolide
Role
alias
Source
itcmdb_public
Preferred
No
Name
3beta-(alpha-L-rhamnopyranosyloxy)-14-hydroxy-5beta-card-20(22)-enolide
Role
alias
Source
HERB_v2
Preferred
No
Name
3beta-(alpha-L-rhamnopyranosyloxy)-14-hydroxy-5beta-card-20(22)-enolide
Role
alias
Source
itcmdb_public
Preferred
No
Name
508-93-0
Role
alias
Source
itcmdb_public
Preferred
No
Name
508-93-0
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:71000
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:71000
Role
alias
Source
HERB_v2
Preferred
No
Name
Digitoxigenin 3-rhamnoside
Role
alias
Source
itcmdb_public
Preferred
No
Name
Digitoxigenin 3-rhamnoside
Role
alias
Source
HERB_v2
Preferred
No
Name
Digitoxigenin rhamnoside
Role
alias
Source
itcmdb_public
Preferred
No
Name
Digitoxigenin rhamnoside
Role
alias
Source
HERB_v2
Preferred
No
Name
Evomonosid
Role
alias
Source
HERB_v2
Preferred
No
Name
Evomonosid
Role
alias
Source
itcmdb_public
Preferred
No
Name
digitoxigenin alpha-L-rhamnoside
Role
alias
Source
HERB_v2
Preferred
No
Name
digitoxigenin alpha-L-rhamnoside
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
3-[(3S,5R,8R,9S,10S,13R,14S,17R)-14-hydroxy-10,13-dimethyl-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one3beta-(6-deoxy-alpha-L-mannopyranosyloxy)-14-hydroxy-5beta-card-20(22)-enolide3beta-(alpha-L-rhamnopyranosyloxy)-14-hydroxy-5beta-card-20(22)-enolide508-93-0CHEBI:71000Digitoxigenin 3-rhamnosideDigitoxigenin rhamnosideEvomonosiddigitoxigenin alpha-L-rhamnoside
Cross References
Trusted external identifiers retained for this final record.
Cas
508-93-0
Herb
HBIN026273
Npass
NPC99620
Tcmsp
MOL003911
Sym Map
SMIT05913
Tcm Id
20018
Pub Chem
12308635
Tcmbank
TCMBANKIN007028
Etcm Ingredient
evomonoside
Itcmdb Generated
ITX-INGREDIENT-95F753C05707
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C29H44O8/c1-15-23(31)24(32)25(33)26(36-15)37-18-6-9-27(2)17(13-18)4-5-21-20(27)7-10-28(3)19(8-11-29(21,28)34)16-12-22(30)35-14-16/h12,15,17-21,23-26,31-34H,4-11,13-14H2,1-3H3/t15-,17+,18-,19+,20-,21+,23-,24+,25+,26-,27-,28+,29-/m0/s1
Mol Wt
520.6630000000004
Cas Id
508-93-0
Smiles
CC1C(C(C(C(O1)OC2CCC3(C(C2)CCC4C3CCC5(C4(CCC5C6=CC(=O)OC6)O)C)C)O)O)O
Mol Log P
2.456100000000002
Version
v1,v2
In Ch Ikey
WQMLFJWIKARBFW-BKKMTDGVSA-N
Ob Score
12.2427787212.24277912.243
Suppress
0
Num Hdonors
4
Drug Likeness
0.33
Num Hacceptors
8
Isomeric Smiles
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]4[C@@H]3CC[C@]5([C@@]4(CC[C@@H]5C6=CC(=O)OC6)O)C)C)O)O)O
Molecule Weight
520.73
Canonical Smiles
CC1C(C(C(C(O1)OC2CCC3(C(C2)CCC4C3CCC5(C4(CCC5C6=CC(=O)OC6)O)C)C)O)O)O
Herb Alias Names
508-93-0EvomonosidDigitoxigenin rhamnosideDigitoxigenin 3-rhamnosidedigitoxigenin alpha-L-rhamnosideCHEBI:710003-[(3S,5R,8R,9S,10S,13R,14S,17R)-14-hydroxy-10,13-dimethyl-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one3beta-(alpha-L-rhamnopyranosyloxy)-14-hydroxy-5beta-card-20(22)-enolide3beta-(6-deoxy-alpha-L-mannopyranosyloxy)-14-hydroxy-5beta-card-20(22)-enolide
Molecular Weight
520.300
Molecular Weight
520.65
Molecular Formula
C29H44O8
Molecular Formula
C29H44O8
Molecular Formula
C29H44O8
Num Rotatable Bonds
3
Fda Maximum Daily Dose (Fdamdd)
0.900
Quantitative Estimate Of Drug Likeness（Qed）
0.383