Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 11220
- Core Entity Id
- 15636
- Source Entity Count
- 1
- Preferred Name
- Araloside d
- Name En
- Pubchem Id
- 195805
- Smiles Canonical
- CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC6C(C(C(CO6)O)OC7C(C(C(C(O7)CO)O)O)O)OC8C(C(C(CO8)O)O)O)C)C)C2C1)C)C(=O)O)C
- Molecular Formula
- C46H74O16
- Molecular Weight
- 883.0820
- Inchikey
- QISCHUABGXFSHX-VBYDFQJFSA-N
- Inchi
- InChI=1S/C46H74O16/c1-41(2)14-16-46(40(55)56)17-15-44(6)22(23(46)18-41)8-9-28-43(5)12-11-29(42(3,4)27(43)10-13-45(28,44)7)60-39-36(62-37-33(53)30(50)24(48)20-57-37)35(25(49)21-58-39)61-38-34(54)32(52)31(51)26(19-47)59-38/h8,23-39,47-54H,9-21H2,1-7H3,(H,55,56)/t23-,24-,25+,26-,27?,28-,29+,30+,31-,32+,33-,34-,35+,36-,37-,38-,39+,43+,44-,45-,46+/m1/s1
- Isomeric Smiles
- C[C@]12CC[C@@H](C(C1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@@H]4CC(CC5)(C)C)C(=O)O)C)C)(C)C)O[C@H]6[C@@H]([C@H]([C@H](CO6)O)O[C@@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O[C@@H]8[C@@H]([C@H]([C@@H](CO8)O)O)O
- Cas Id
- Ob Score
- Mol Logp
- 1.9844
- Num H Donors
- 9
- Num H Acceptors
- 15
- Num Rotatable Bonds
- 8
- Drug Likeness
- 0.1250
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Araloside D
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Araloside d
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Araloside d
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
araloside d
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(4aS,6aR,6aS,6bR,10S,12aR,14bR)-10-[(2S,3R,4S,5S)-5-hydroxy-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
(4aS,6aR,6aS,6bR,10S,12aR,14bR)-10-[(2S,3R,4S,5S)-5-hydroxy-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
135560-19-9
Role
alias
Source
HERB_v2
Preferred
No
Name
135560-19-9
Role
alias
Source
itcmdb_public
Preferred
No
Name
Olean-12-en-28-oic-acid, 3-((O-beta-D-glucopyranosyl-(1-2)-O-beta-D-xylopyranosyl-(1-2)-alpha-L-arabinopyranosyl)oxy)-, (3beta)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
Olean-12-en-28-oic-acid, 3-((O-beta-D-glucopyranosyl-(1-2)-O-beta-D-xylopyranosyl-(1-2)-alpha-L-arabinopyranosyl)oxy)-, (3beta)-
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(4aS,6aR,6aS,6bR,10S,12aR,14bR)-10-[(2S,3R,4S,5S)-5-hydroxy-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid135560-19-9Olean-12-en-28-oic-acid, 3-((O-beta-D-glucopyranosyl-(1-2)-O-beta-D-xylopyranosyl-(1-2)-alpha-L-arabinopyranosyl)oxy)-, (3beta)-
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN016589
Tcmid
1611
Pub Chem
195805
Tcmbank
TCMBANKIN017866
Etcm Ingredient
Araloside D
Itcmdb Generated
ITX-INGREDIENT-C4850C421B03
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C46H74O16/c1-41(2)14-16-46(40(55)56)17-15-44(6)22(23(46)18-41)8-9-28-43(5)12-11-29(42(3,4)27(43)10-13-45(28,44)7)60-39-36(62-37-33(53)30(50)24(48)20-57-37)35(25(49)21-58-39)61-38-34(54)32(52)31(51)26(19-47)59-38/h8,23-39,47-54H,9-21H2,1-7H3,(H,55,56)/t23-,24-,25+,26-,27?,28-,29+,30+,31-,32+,33-,34-,35+,36-,37-,38-,39+,43+,44-,45-,46+/m1/s1
Mol Wt
883.0820000000008
Smiles
CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC6C(C(C(CO6)O)OC7C(C(C(C(O7)CO)O)O)O)OC8C(C(C(CO8)O)O)O)C)C)C2C1)C)C(=O)O)C
Mol Log P
1.984400000000007
In Ch Ikey
QISCHUABGXFSHX-VBYDFQJFSA-N
Num Hdonors
9
Drug Likeness
0.125
Num Hacceptors
15
Isomeric Smiles
C[C@]12CC[C@@H](C(C1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@@H]4CC(CC5)(C)C)C(=O)O)C)C)(C)C)O[C@H]6[C@@H]([C@H]([C@H](CO6)O)O[C@@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O[C@@H]8[C@@H]([C@H]([C@@H](CO8)O)O)O
Canonical Smiles
CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC6C(C(C(CO6)O)OC7C(C(C(C(O7)CO)O)O)O)OC8C(C(C(CO8)O)O)O)C)C)C2C1)C)C(=O)O)C
Herb Alias Names
135560-19-9Olean-12-en-28-oic-acid, 3-((O-beta-D-glucopyranosyl-(1-2)-O-beta-D-xylopyranosyl-(1-2)-alpha-L-arabinopyranosyl)oxy)-, (3beta)-(4aS,6aR,6aS,6bR,10S,12aR,14bR)-10-[(2S,3R,4S,5S)-5-hydroxy-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
Molecular Weight
882.500
Molecular Weight
883.1 g/mol
Molecular Formula
C46H74O16
Molecular Formula
C46H74O16
Molecular Formula
C46H74O16
Num Rotatable Bonds
8
Fda Maximum Daily Dose (Fdamdd)
0.049
Quantitative Estimate Of Drug Likeness（Qed）
0.125