ITCMDBv1
IngredientID 12561

Beta-sitosteryl-beta-d-glucoside

C35H60O6

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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
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Record Fields

Scalar fields from the final ingredient record.

Ingredient Id
12561
Core Entity Id
17132
Source Entity Count
1
Preferred Name
Beta-sitosteryl-beta-d-glucoside
Name En
Pubchem Id
12309067
Smiles Canonical
CC[C@@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C
Molecular Formula
C35H60O6
Molecular Weight
577.0000
Inchikey
NPJICTMALKLTFW-VPFCYKORSA-N
Inchi
InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22+,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1
Isomeric Smiles
Cas Id
Ob Score
Mol Logp
6.0000
Num H Donors
4
Num H Acceptors
6
Num Rotatable Bonds
9
Drug Likeness
Polar Surface Area
99.0000
Molecular Volume
435.0000
Alogp
6.0000

Names

Preferred names, aliases, and source labels retained in the final schema.

Name
Beta-sitosteryl-beta-d-glucoside
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Beta-sitosteryl-beta-d-glucoside
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
beta-sitosteryl-beta-D-glucoside
Role
preferred
Source
TCMBank
Preferred
Yes
Name
beta-sitosteryl-beta-D-glucoside
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
苎麻根
Role
TCM_name
Source
TCMBank
Preferred
No
Name
Radix Boehmeriae
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
β-sitosteryl β-D-glucoside
Role
alias
Source
itcmdb_public
Preferred
No
Name
β-sitosteryl β-D-glucoside
Role
alias
Source
HERB_v2
Preferred
No
Name
7.止血药(25-26)
Role
level1_name
Source
TCMBank
Preferred
No
Name
hemostatic medicinal
Role
level1_name_en
Source
TCMBank
Preferred
No
Name
1.凉血止血药(8-9)
Role
level2_name
Source
TCMBank
Preferred
No
Name
blood-cooling hemostatic medicinal
Role
level2_name_en
Source
TCMBank
Preferred
No
Name
香加皮;樟柳头;红三七;水茄;半夏;蔓荆子;鸦片;苦瓜;枸杞叶;黄葵;桑叶;金银花;木通根;原蚕沙;穿心莲;禹白附;东方狗脊;黄花拜酱;木通;悷木
Role
TCM_name
Source
TCMBank
Preferred
No
Name
XIANG JIA PI;ZHANG LIU TOU;HONG SAN QI;SHUI QIE;BAN XIA;MAN JING ZI;YA PIAN;KU GUA;GOU QI YE;HUANG KUI;SANG YE;JIN YIN HUA;MU TONG GEN;YUAN CAN SHA;CHUAN XIN LIAN;YU BAI FU;DONG FANG GOU JI;HUANG HUA BAI JIANG;MU TONG;LI MU
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Chinese SiIkvine Root-bark;Canereed SpiraIfIag;Ovateleaf Knotweed ;Water N ighFiveIeaf Akebia Root ;tshade ;Ternate Pinellia ;Threeleaf Chastetree Fruit ;Opium ;BaIsampear;Chinese WoIfberry Leaf;Musk-mallow ;White Mulberry;Japanese Honeysuckle ;Silkworm Feculae ;Common Andrographis;Giant Typhonium;Oriental Chain Fern ;Dahurian Patrinia;FiveIeaf Akebia ;Tibet Lyonia
Role
TCM_name_en
Source
TCMBank
Preferred
No

Aliases

Additional names normalized into the restored final schema.

苎麻根Radix Boehmeriaeβ-sitosteryl β-D-glucoside7.止血药(25-26)hemostatic medicinal1.凉血止血药(8-9)blood-cooling hemostatic medicinal香加皮;樟柳头;红三七;水茄;半夏;蔓荆子;鸦片;苦瓜;枸杞叶;黄葵;桑叶;金银花;木通根;原蚕沙;穿心莲;禹白附;东方狗脊;黄花拜酱;木通;悷木XIANG JIA PI;ZHANG LIU TOU;HONG SAN QI;SHUI QIE;BAN XIA;MAN JING ZI;YA PIAN;KU GUA;GOU QI YE;HUANG KUI;SANG YE;JIN YIN HUA;MU TONG GEN;YUAN CAN SHA;CHUAN XIN LIAN;YU BAI FU;DONG FANG GOU JI;HUANG HUA BAI JIANG;MU TONG;LI MUChinese SiIkvine Root-bark;Canereed SpiraIfIag;Ovateleaf Knotweed ;Water N ighFiveIeaf Akebia Root ;tshade ;Ternate Pinellia ;Threeleaf Chastetree Fruit ;Opium ;BaIsampear;Chinese WoIfberry Leaf;Musk-mallow ;White Mulberry;Japanese Honeysuckle ;Silkworm Feculae ;Common Andrographis;Giant Typhonium;Oriental Chain Fern ;Dahurian Patrinia;FiveIeaf Akebia ;Tibet Lyonia

Cross References

Trusted external identifiers retained for this final record.

Herb
HBIN018320
Tcmid
3416839626
Tcm Id
16487
Tcmbank
TCMBANKIN057720TCMBANKIN057257
Etcm Ingredient
beta-sitosteryl-beta-D-glucoside
Itcmdb Generated
ITX-INGREDIENT-08309FC89CC9ITX-INGREDIENT-D8FC10E28883ITX-INGREDIENT-918ED1C3B4EE

Attributes

Merged source attributes and domain-specific metadata.

Alog P
6
Smiles
C([H])([H])([H])[C@]12[C@@]([H])(C([H])([H])C([H])([H])[C@]1([H])[C@@]([H])(C([H])([H])C([H])([H])[C@@]([H])(C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])[H])C([H])([H])[H])[C@@]3([H])[C @@]([H])([C@@]4(C(C([H])([H])[C@@]([H])(O[C@]5([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]5([H])O[H])C([H])([H])C4([H])[H])=C([H])C3([H])[H])C([H])([H])[H])C([H])([H])C2([H])[H ]
37 Flag
37
C Count
35
N Count
0
O Count
6
P Count
0
S Count
0
Tcm Name
苎麻根
Tcm Name2
XIANG JIA PI;ZHANG LIU TOU;HONG SAN QI;SHUI QIE;BAN XIA;MAN JING ZI;YA PIAN;KU GUA;GOU QI YE;HUANG KUI;SANG YE;JIN YIN HUA;MU TONG GEN;YUAN CAN SHA;CHUAN XIN LIAN;YU BAI FU;DONG FANG GOU JI;HUANG HUA BAI JIANG;MU TONG;LI MU
Mol2 Path
/TCM_database/7.止血药(25-26)/1.凉血止血药(8-9)/苎麻根/Structures/beta-sitosteryl-beta-D-glucoside.mol2
Reference
6, 377, 535, 562, 660
Tcm Name En
Radix Boehmeriae
Level1 Name
7.止血药(25-26)
Level2 Name
1.凉血止血药(8-9)
Num H Donors
4
Level1 Name En
hemostatic medicinal
Level2 Name En
blood-cooling hemostatic medicinal
Num H Acceptors
6
Herb Alias Names
β-sitosteryl β-D-glucoside
Molecular Weight
576.440
Molecular Volume
435
Molecular Weight
577
Molecular Formula
C35H60O6
Molecular Formula
C35H60O6
Num Rotatable Bonds
9
Molecular Polar Surface Area
99
Fda Maximum Daily Dose (Fdamdd)
0.063
Quantitative Estimate Of Drug Likeness（Qed）
0.257