Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 3Ingredient: 1Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 11435
- Core Entity Id
- 15877
- Source Entity Count
- 1
- Preferred Name
- Sericoside
- Name En
- Pubchem Id
- 14658049
- Smiles Canonical
- CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)CO)O)O)C)C)C2C1O)C)C(=O)OC6C(C(C(C(O6)CO)O)O)O)C
- Molecular Formula
- C36H58O11
- Molecular Weight
- 666.8490
- Inchikey
- CMZFNIMQBCBHEX-APNSOIJXSA-N
- Inchi
- InChI=1S/C36H58O11/c1-31(2)11-13-36(30(45)47-29-26(42)25(41)24(40)20(16-37)46-29)14-12-34(5)18(23(36)28(31)44)7-8-22-32(3)15-19(39)27(43)33(4,17-38)21(32)9-10-35(22,34)6/h7,19-29,37-44H,8-17H2,1-6H3/t19-,20-,21-,22-,23-,24-,25+,26-,27+,28+,29+,32+,33+,34-,35-,36+/m1/s1
- Isomeric Smiles
- C[C@@]12CC[C@@H]3[C@@]([C@H]1CC=C4[C@]2(CC[C@@]5([C@H]4[C@@H](C(CC5)(C)C)O)C(=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)(C[C@H]([C@@H]([C@@]3(C)CO)O)O)C
- Cas Id
- 62319-70-4
- Ob Score
- 7.7640
- Mol Logp
- 1.4061
- Num H Donors
- 8
- Num H Acceptors
- 11
- Num Rotatable Bonds
- 4
- Drug Likeness
- 0.1600
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Sericoside
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Arjunglucoside I
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Arjunglucoside I
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Arjunglucoside i
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Arjunglucoside i
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Sericoside
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Sericoside
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Sericoside
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
arjunglucoside I
Role
preferred
Source
TCMBank
Preferred
Yes
Name
sericoside
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
sericoside
Role
preferred
Source
TCMBank
Preferred
Yes
Name
((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl) (1S,4aR,6aR,6aS,6bR,8aR,9R,10R,11R,12aR,14bS)-1,10,11-trihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
Role
alias
Source
itcmdb_public
Preferred
No
Name
2alpha,3beta,19,24-Tetrahydroxyoleana-12-ene-28-oic acid beta-D-glucopyranosyl ester
Role
alias
Source
SymMap_v2
Preferred
No
Name
2alpha,3beta,19,24-Tetrahydroxyoleana-12-ene-28-oic acid beta-D-glucopyranosyl ester
Role
alias
Source
TCMBank
Preferred
No
Name
2alpha,3beta,19alpha,23-Tetrahydroxyolean-12-en-28-oic acid beta-D-glucopyranosyl ester
Role
alias
Source
itcmdb_public
Preferred
No
Name
2alpha,3beta,19alpha,23-Tetrahydroxyolean-12-en-28-oic acid beta-D-glucopyranosyl ester
Role
alias
Source
HERB_v2
Preferred
No
Name
4-epi-sericoside
Role
alias
Source
itcmdb_public
Preferred
No
Name
4-epi-sericoside
Role
alias
Source
HERB_v2
Preferred
No
Name
55306-04-2
Role
alias
Source
SymMap_v2
Preferred
No
Name
55306-04-2
Role
alias
Source
TCMBank
Preferred
No
Name
55306-04-2
Role
alias
Source
itcmdb_public
Preferred
No
Name
55306-04-2
Role
alias
Source
HERB_v2
Preferred
No
Name
62319-70-4
Role
alias
Source
TCMBank
Preferred
No
Name
62319-70-4
Role
alias
Source
itcmdb_public
Preferred
No
Name
62319-70-4
Role
alias
Source
HERB_v2
Preferred
No
Name
AKOS040761373
Role
alias
Source
HERB_v2
Preferred
No
Name
AKOS040761373
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL446040
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL446040
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID001019848
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID001019848
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID20678523
Role
alias
Source
TCMBank
Preferred
No
Name
Dotorioside I
Role
alias
Source
TCMBank
Preferred
No
Name
EINECS 259-586-3
Role
alias
Source
HERB_v2
Preferred
No
Name
EINECS 259-586-3
Role
alias
Source
itcmdb_public
Preferred
No
Name
FS-8179
Role
alias
Source
itcmdb_public
Preferred
No
Name
FS-8179
Role
alias
Source
HERB_v2
Preferred
No
Name
HY-N8343
Role
alias
Source
itcmdb_public
Preferred
No
Name
HY-N8343
Role
alias
Source
HERB_v2
Preferred
No
Name
Olean-12-en-28-oic acid, 2,3,19,23-tetrahydroxy-,.beta.-D-glucopyranosyl ester, (2.alpha.,3.beta.,4.alpha.,19.alpha.)-
Role
alias
Source
TCMBank
Preferred
No
Name
Olean-12-en-28-oic acid, 2,3,19,23-tetrahydroxy-,.beta.-D-glucopyranosyl ester, (2.alpha.,3.beta.,4.beta.,19.alpha.)-
Role
alias
Source
SymMap_v2
Preferred
No
Name
Olean-12-en-28-oic acid, 2,3,19,23-tetrahydroxy-,.beta.-D-glucopyranosyl ester, (2.alpha.,3.beta.,4.beta.,19.alpha.)-
Role
alias
Source
TCMBank
Preferred
No
Name
PUBCHEM_49768307
Role
alias
Source
TCMBank
Preferred
No
Name
S4A9325KV4
Role
alias
Source
HERB_v2
Preferred
No
Name
S4A9325KV4
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL21571937
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL21571937
Role
alias
Source
itcmdb_public
Preferred
No
Name
SERICOSIDE VINYALS
Role
alias
Source
HERB_v2
Preferred
No
Name
SERICOSIDE VINYALS
Role
alias
Source
itcmdb_public
Preferred
No
Name
Sericoside
Role
alias
Source
SymMap_v2
Preferred
No
Name
Sericoside
Role
alias
Source
TCMBank
Preferred
No
Name
UNII-S4A9325KV4
Role
alias
Source
itcmdb_public
Preferred
No
Name
UNII-S4A9325KV4
Role
alias
Source
HERB_v2
Preferred
No
Name
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1S,4aR,6aR,6aS,6bR,8aR,9R,10R,11R,12aR,14bS)-1,10,11-trihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
Role
alias
Source
HERB_v2
Preferred
No
Name
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1S,4aR,6aR,6aS,6bR,8aR,9S,10R,11R,12aR,14bS)-1,10,11-trihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
Role
alias
Source
HERB_v2
Preferred
No
Name
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1S,4aR,6aR,6aS,6bR,8aR,9S,10R,11R,12aR,14bS)-1,10,11-trihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
Role
alias
Source
itcmdb_public
Preferred
No
Name
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] (4aR,6aR,6aS,6bR,8aR,9R,10R,11R,12aR,14bS)-1,10,11-trihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
Role
alias
Source
TCMBank
Preferred
No
Name
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] (4aR,6aR,6aS,6bR,8aR,9S,10R,11R,12aR,14bS)-1,10,11-trihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
Role
alias
Source
SymMap_v2
Preferred
No
Name
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] (4aR,6aR,6aS,6bR,8aR,9S,10R,11R,12aR,14bS)-1,10,11-trihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
Role
alias
Source
TCMBank
Preferred
No
Name
arjunglucoside i
Role
alias
Source
TCMBank
Preferred
No
Name
beta-D-Glucopyranosyl (2alpha,3beta,4beta,19alpha)-2,3,19,23-tetrahydroxyolean-12-en-28-oate
Role
alias
Source
itcmdb_public
Preferred
No
Name
beta-D-Glucopyranosyl (2alpha,3beta,4beta,19alpha)-2,3,19,23-tetrahydroxyolean-12-en-28-oate
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
Arjunglucoside I((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl) (1S,4aR,6aR,6aS,6bR,8aR,9R,10R,11R,12aR,14bS)-1,10,11-trihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate2alpha,3beta,19,24-Tetrahydroxyoleana-12-ene-28-oic acid beta-D-glucopyranosyl ester2alpha,3beta,19alpha,23-Tetrahydroxyolean-12-en-28-oic acid beta-D-glucopyranosyl ester4-epi-sericoside55306-04-262319-70-4AKOS040761373CHEMBL446040DTXSID001019848DTXSID20678523Dotorioside IEINECS 259-586-3FS-8179HY-N8343Olean-12-en-28-oic acid, 2,3,19,23-tetrahydroxy-,.beta.-D-glucopyranosyl ester, (2.alpha.,3.beta.,4.alpha.,19.alpha.)-Olean-12-en-28-oic acid, 2,3,19,23-tetrahydroxy-,.beta.-D-glucopyranosyl ester, (2.alpha.,3.beta.,4.beta.,19.alpha.)-PUBCHEM_49768307S4A9325KV4SCHEMBL21571937SERICOSIDE VINYALSUNII-S4A9325KV4[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1S,4aR,6aR,6aS,6bR,8aR,9R,10R,11R,12aR,14bS)-1,10,11-trihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1S,4aR,6aR,6aS,6bR,8aR,9S,10R,11R,12aR,14bS)-1,10,11-trihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] (4aR,6aR,6aS,6bR,8aR,9R,10R,11R,12aR,14bS)-1,10,11-trihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] (4aR,6aR,6aS,6bR,8aR,9S,10R,11R,12aR,14bS)-1,10,11-trihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylatebeta-D-Glucopyranosyl (2alpha,3beta,4beta,19alpha)-2,3,19,23-tetrahydroxyolean-12-en-28-oate
Cross References
Trusted external identifiers retained for this final record.
Cas
55306-04-262319-70-4
Herb
HBIN016847HBIN043771
Npass
NPC205579NPC303196
Tcmid
173319743
Tcmsp
MOL006768MOL006773
Sym Map
SMIT00657SMIT08336SMIT14381
Pub Chem
1465804914658050497683074976830876972524
Tcmbank
TCMBANKIN040189TCMBANKIN047011
Etcm Ingredient
Arjunglucoside Isericoside
Itcmdb Generated
ITX-INGREDIENT-96C4F15619A4ITX-INGREDIENT-E899A3325B65
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C36H58O11/c1-31(2)11-13-36(30(45)47-29-26(42)25(41)24(40)20(16-37)46-29)14-12-34(5)18(23(36)28(31)44)7-8-22-32(3)15-19(39)27(43)33(4,17-38)21(32)9-10-35(22,34)6/h7,19-29,37-44H,8-17H2,1-6H3/t19-,20-,21-,22-,23-,24-,25+,26-,27+,28+,29+,32+,33+,34-,35-,36+/m1/s1InChI=1S/C36H58O11/c1-31(2)11-13-36(30(45)47-29-26(42)25(41)24(40)20(16-37)46-29)14-12-34(5)18(23(36)28(31)44)7-8-22-32(3)15-19(39)27(43)33(4,17-38)21(32)9-10-35(22,34)6/h7,19-29,37-44H,8-17H2,1-6H3/t19-,20-,21-,22-,23-,24-,25+,26-,27+,28+,29+,32+,33-,34-,35-,36+/m1/s1
Mol Wt
666.8490000000002
Cas Id
62319-70-4
Smiles
CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)CO)O)O)C)C)C2C1O)C)C(=O)OC6C(C(C(C(O6)CO)O)O)O)C
Mol Log P
1.4061
Version
v1,v2
In Ch Ikey
CMZFNIMQBCBHEX-APNSOIJXSA-NCMZFNIMQBCBHEX-JRIAKSEUSA-N
Ob Score
7.7647.7641336037.7641348.1085649548.1085658.109
Suppress
01
Mol2 Path
/TCM_database/2007_3d_all/01733.mol2/TCM_database/2007_3d_all/19758.mol2
Reference
1521, 25082508
Num Hdonors
8
Drug Likeness
0.16
Num Hacceptors
11
Isomeric Smiles
C[C@@]12CC[C@@H]3[C@@]([C@H]1CC=C4[C@]2(CC[C@@]5([C@H]4[C@@H](C(CC5)(C)C)O)C(=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)(C[C@H]([C@@H]([C@@]3(C)CO)O)O)CC[C@@]12CC[C@@H]3[C@@]([C@H]1CC=C4[C@]2(CC[C@@]5([C@H]4[C@@H](C(CC5)(C)C)O)C(=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)(C[C@H]([C@@H]([C@]3(C)CO)O)O)C
Molecule Weight
666.94
Canonical Smiles
CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)CO)O)O)C)C)C2C1O)C)C(=O)OC6C(C(C(C(O6)CO)O)O)O)C
Herb Alias Names
62319-70-4[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1S,4aR,6aR,6aS,6bR,8aR,9R,10R,11R,12aR,14bS)-1,10,11-trihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate2alpha,3beta,19alpha,23-Tetrahydroxyolean-12-en-28-oic acid beta-D-glucopyranosyl ester((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl) (1S,4aR,6aR,6aS,6bR,8aR,9R,10R,11R,12aR,14bS)-1,10,11-trihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylateCHEMBL446040SCHEMBL21571937HY-N8343AKOS040761373FS-8179
Molecular Weight
666.400
Molecular Weight
666.84
Molecule Formula
C36H58O11
Molecular Formula
C36H58O11
Molecular Formula
C36H58O11
Molecular Formula
C36H58O11
Num Rotatable Bonds
4
Link Ingredient Id
8336.0
Fda Maximum Daily Dose (Fdamdd)
0.0800.345
Quantitative Estimate Of Drug Likeness（Qed）
0.160