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
- 21814
- Core Entity Id
- 27433
- Source Entity Count
- 1
- Preferred Name
- Hydroxysaikosaponin d
- Name En
- Pubchem Id
- 162940905
- Smiles Canonical
- CC1C(C(C(C(O1)OC2CCC3(C(C2(C)CO)CCC4(C3C(C=C5C4(CC(C6(C5CC(CC6)(C)C)CO)O)C)O)C)C)O)OC7C(C(C(C(O7)CO)O)O)O)O
- Molecular Formula
- C42H70O14
- Molecular Weight
- 798.4800
- Inchikey
- WBZUTWKOBMHGCT-SHOUFNRYSA-N
- Inchi
- InChI=1S/C42H70O14/c1-20-28(48)33(56-35-31(51)30(50)29(49)24(17-43)54-35)32(52)36(53-20)55-27-9-10-38(4)25(39(27,5)18-44)8-11-40(6)34(38)23(46)14-21-22-15-37(2,3)12-13-42(22,19-45)26(47)16-41(21,40)7/h14,20,22-36,43-52H,8-13,15-19H2,1-7H3/t20-,22+,23-,24-,25-,26-,27+,28+,29-,30+,31-,32-,33+,34-,35+,36+,38+,39+,40-,41-,42-/m1/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 1.9000
- Num H Donors
- 10
- Num H Acceptors
- 14
- Num Rotatable Bonds
- 7
- Drug Likeness
- Polar Surface Area
- 239.0000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Hydroxysaikosaponin D
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Hydroxysaikosaponin d
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Hydroxysaikosaponin d
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
hydroxy,saikosaponin,d
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
紫胡
Role
TCM_name
Source
TCMBank
Preferred
No
Name
ZI HU
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Sickle-leaved Hare’s-ear
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
hydroxy,saikosaponin,d紫胡ZI HUSickle-leaved Hare’s-ear
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN029760
Tcmid
10686
Tcmbank
TCMBANKIN037779
Etcm Ingredient
hydroxy,saikosaponin,d
Itcmdb Generated
ITX-INGREDIENT-063B3ED5EB03
Attributes
Merged source attributes and domain-specific metadata.
Tcm Name
紫胡
Tcm Name2
ZI HU
Mol2 Path
/TCM_database/2007_3d_all/10687.mol2
Reference
2247
Tcm Name En
Sickle-leaved Hare’s-ear
Molecular Weight
798.480
Molecular Formula
C42H70O14
Molecular Formula
C42H70O14
Fda Maximum Daily Dose (Fdamdd)
0.132
Quantitative Estimate Of Drug Likeness（Qed）
0.126