IngredientID 17371

Diosgenin-3-o-beta-d-glucopyranoside

C33H52O8

Relationship Network

Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.

Click a node to open it in a new tab

Herb: 6Ingredient: 1Links: 6

Arranging relationship network...

Record Fields

Scalar fields from the final ingredient record.

Ingredient Id: 17371
Core Entity Id: 22477
Source Entity Count: 1
Preferred Name: Diosgenin-3-o-beta-d-glucopyranoside
Name En
Pubchem Id: 129716073
Smiles Canonical: C1([H])([H])C([H])([H])[C@@]2(C([H])([H])[H])C(=C([H])C([H])([H])[C@]3([H])[C@]2([H])C([H])([H])C([H])([H])[C@](C([H])([H])[H])([C@@]([H])([C@]([H])(C([H])([H])[H])[C@@]4(C([H])([H])C([H])([H])[C@@]([ H])(C([H])([H])[H])C([H])([H])O4)O5)[C@]5([H])C6([H])[H])[C@@]36[H])C([H])([H])[C@@]1([H])O[C@@]([H])([C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]7([H])C([H])([H])O[H])O7
Molecular Formula: C33H52O8
Molecular Weight: 576.7710
Inchikey: WXMARHKAXWRNDM-KBEONFGSSA-N
Inchi: InChI=1S/C33H52O8/c1-17-7-12-33(38-16-17)18(2)26-24(41-33)14-23-21-6-5-19-13-20(8-10-31(19,3)22(21)9-11-32(23,26)4)39-30-29(37)28(36)27(35)25(15-34)40-30/h5,17-18,20-30,34-37H,6-16H2,1-4H3/t17-,18+,20?,21?,22?,23?,24?,25?,26?,27?,28?,29?,30?,31?,32?,33?/m1/s1
Isomeric Smiles: C[C@@H]1CCC2([C@H](C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)CO)O)O)O)C)C)C)OC1
Cas Id
Ob Score: 7.9419
Mol Logp: 3.5381
Num H Donors: 4
Num H Acceptors: 8
Num Rotatable Bonds: 3
Drug Likeness: 0.3770
Polar Surface Area
Molecular Volume
Alogp

Names

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

Name

Diosgenin-3-O-Beta-D-Glucopyranoside

Role

preferred

Source

SymMap_v2

Preferred

Yes

Name

Diosgenin-3-O-beta-D-glucopyranoside

Role

preferred

Source

ETCM_v2

Preferred

Yes

Name

Diosgenin-3-O-beta-D-glucopyranoside

Role

preferred

Source

TCMBank

Preferred

Yes

Name

Diosgenin-3-o-beta-d-glucopyranoside

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

Diosgenin-3-o-beta-d-glucopyranoside

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

盾叶薯蓣;福州薯蓣;蚤休;穿龙薯蓣

Role

TCM_name

Source

TCMBank

Preferred

Name

DUN YE SHU YU;YAN LIAN CAO;FU ZHOU SHU YU;ZAO XIU;CHUAN LONG SHU YU

Role

TCM_name2

Source

TCMBank

Preferred

Name

Peltate Yam ;Foochow Yam ;Manyleaf Paris ;Nippon Yam

Role

TCM_name_en

Source

TCMBank

Preferred

Aliases

Additional names normalized into the restored final schema.

盾叶薯蓣;福州薯蓣;蚤休;穿龙薯蓣DUN YE SHU YU;YAN LIAN CAO;FU ZHOU SHU YU;ZAO XIU;CHUAN LONG SHU YUPeltate Yam ;Foochow Yam ;Manyleaf Paris ;Nippon Yam

Cross References

Trusted external identifiers retained for this final record.

Herb

HBIN024173

Tcmid

258296442

Tcmsp

MOL005459

Sym Map

SMIT07212SMIT18978

Pub Chem

129716073

Tcmbank

TCMBANKIN055790

Etcm Ingredient

Diosgenin-3-O-beta-D-glucopyranoside

Itcmdb Generated

ITX-INGREDIENT-285C63E756A4ITX-INGREDIENT-A6A0E692D33A

Attributes

Merged source attributes and domain-specific metadata.

In Ch I

InChI=1S/C33H52O8/c1-17-7-12-33(38-16-17)18(2)26-24(41-33)14-23-21-6-5-19-13-20(8-10-31(19,3)22(21)9-11-32(23,26)4)39-30-29(37)28(36)27(35)25(15-34)40-30/h5,17-18,20-30,34-37H,6-16H2,1-4H3/t17-,18+,20?,21?,22?,23?,24?,25?,26?,27?,28?,29?,30?,31?,32?,33?/m1/s1

Mol Wt

576.7710000000001

Smiles

C1([H])([H])C([H])([H])[C@@]2(C([H])([H])[H])C(=C([H])C([H])([H])[C@]3([H])[C@]2([H])C([H])([H])C([H])([H])[C@](C([H])([H])[H])([C@@]([H])([C@]([H])(C([H])([H])[H])[C@@]4(C([H])([H])C([H])([H])[C@@]([ H])(C([H])([H])[H])C([H])([H])O4)O5)[C@]5([H])C6([H])[H])[C@@]36[H])C([H])([H])[C@@]1([H])O[C@@]([H])([C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]7([H])C([H])([H])O[H])O7

Mol Log P

3.538100000000004

Version

v1,v2

In Ch Ikey

WXMARHKAXWRNDM-KBEONFGSSA-N

Ob Score

7.9419107097.942

Suppress

Tcm Name

盾叶薯蓣;福州薯蓣;蚤休;穿龙薯蓣

Tcm Name2

DUN YE SHU YU;YAN LIAN CAO;FU ZHOU SHU YU;ZAO XIU;CHUAN LONG SHU YU

Mol2 Path

/TCM_database/2003_3d_all/2559.mol2

Reference

6, 10, 660

Num Hdonors

Tcm Name En

Peltate Yam ;Foochow Yam ;Manyleaf Paris ;Nippon Yam

Drug Likeness

0.377

Num Hacceptors

Isomeric Smiles

C[C@@H]1CCC2([C@H](C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)CO)O)O)O)C)C)C)OC1

Molecule Weight

576.85

Canonical Smiles

CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)CO)O)O)O)C)C)C)OC1

Molecular Weight

576.370

Molecular Formula

C33H52O8

Molecular Formula

C33H52O8

Molecular Formula

C33H52O8

Num Rotatable Bonds

Link Ingredient Id

7212.0

Fda Maximum Daily Dose (Fdamdd)

0.837

Quantitative Estimate Of Drug Likeness（Qed）

0.377