IngredientID 10797

Spirost-5-en-3-ol; (3beta,25s)-form,3-o-[alpha-l-rhamnopyranosyl-(1→2)-[alpha-l-rhamnopyranosyl-(1→3)]-beta-d-glucopyranoside]

C45H72O16

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Ingredient: 1Target: 1Links: 1

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Scalar fields from the final ingredient record.

Ingredient Id: 10797
Core Entity Id: 15164
Source Entity Count: 1
Preferred Name: Spirost-5-en-3-ol; (3beta,25s)-form,3-o-[alpha-l-rhamnopyranosyl-(1→2)-[alpha-l-rhamnopyranosyl-(1→3)]-beta-d-glucopyranoside]
Name En
Pubchem Id: 71446540
Smiles Canonical
Molecular Formula: C45H72O16
Molecular Weight: 867.1000
Inchikey: SRFKCMVQTOGLCC-NSNPDTTGSA-N
Inchi: InChI=1S/C46H74O15/c1-20-9-14-46(55-19-20)22(3)32-29(61-46)17-28-26-8-7-24-16-25(10-12-44(24,5)27(26)11-13-45(28,32)6)57-43-41(58-30-15-21(2)33(48)37(52)35(30)50)40(36(51)31(18-47)59-43)60-42-39(54)38(53)34(49)23(4)56-42/h7,20-23,25-43,47-54H,8-19H2,1-6H3/t20-,21-,22-,23-,25-,26+,27-,28-,29-,30-,31+,32-,33+,34-,35-,36+,37+,38+,39+,40-,41+,42-,43+,44-,45-,46+/m0/s1
Isomeric Smiles
Cas Id: 93528-39-3
Ob Score
Mol Logp: 2.7000
Num H Donors: 8
Num H Acceptors: 15
Num Rotatable Bonds: 7
Drug Likeness
Polar Surface Area: 226.0000
Molecular Volume
Alogp

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

Name

Spirost-5-en-3-ol; (3beta,25s)-form,3-o-[alpha-l-rhamnopyranosyl-(1→2)-[alpha-l-rhamnopyranosyl-(1→3)]-beta-d-glucopyranoside]

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

Spirost-5-en-3-ol; (3beta,25s)-form,3-o-[alpha-l-rhamnopyranosyl-(1→2)-[alpha-l-rhamnopyranosyl-(1→3)]-beta-d-glucopyranoside]

Role

preferred

Source

HERB_v2

Preferred

Yes

Trusted external identifiers retained for this final record.

Cas

93528-39-3

Herb

HBIN044601

Tcm Id

823

Merged source attributes and domain-specific metadata.

Cas Id

93528-39-3

Molecular Formula

C45H72O16