Priverogenin B 22-acetate 3-O-{beta-D-xylopyranosyl(1->2)-beta-D-glucopyranosyl(1->4)[beta-D-glucopyranosyl(1->2)]-alpha-L-Arabinopyranoside}

ID: ALA2420030

PubChem CID: 73353730

Max Phase: Preclinical

Molecular Formula: C54H88O23

Molecular Weight: 1105.28

Molecule Type: Unknown

Associated Items:

Bioactivity Summary Target Summary Assay Summary

This compound is not in our inventory system

Names and Identifiers

Canonical SMILES: CC(=O)O[C@H]1CC(C)(C)C[C@@H]2[C@]13CO[C@@]21CC[C@@H]2[C@@]4(C)CC[C@H](O[C@@H]5OC[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O[C@@H]5OC[C@@H](O)[C@H](O)[C@H]5O)C(C)(C)[C@@H]4CC[C@@]2(C)[C@]1(C)C[C@H]3O

Standard InChI: InChI=1S/C54H88O23/c1-23(57)71-33-17-48(2,3)15-30-53(33)22-70-54(30)14-10-29-50(6)12-11-32(49(4,5)28(50)9-13-51(29,7)52(54,8)16-31(53)59)75-46-42(37(63)27(21-69-46)74-45-41(67)38(64)35(61)25(18-55)72-45)77-47-43(39(65)36(62)26(19-56)73-47)76-44-40(66)34(60)24(58)20-68-44/h24-47,55-56,58-67H,9-22H2,1-8H3/t24-,25-,26-,27+,28+,29-,30-,31-,32+,33+,34+,35-,36-,37+,38+,39+,40-,41-,42-,43-,44+,45+,46+,47+,50+,51-,52+,53+,54+/m1/s1

Standard InChI Key: ZFPSHUSKOFTYNL-FYRRPLJSSA-N

Molfile:

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M  END

Associated Targets(Human)

U-266 (527 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

HL-60 (67320 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

SGC-7901 (2773 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

A549 (127892 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

HepG2 (196354 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Natural Product: Yes	Oral: No	Chemical Probe: No	Parenteral: No
Molecule Type: Unknown	Topical: No	First In Class: No	Black Box: No
Chirality: No	Availability: No	Prodrug: No

Natural Product: Yes

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type: Unknown

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Calculated Properties

Molecular Weight: 1105.28	Molecular Weight (Monoisotopic): 1104.5716	AlogP: ┄	#Rotatable Bonds: ┄
Polar Surface Area: ┄	Molecular Species: ┄	HBA: ┄	HBD: ┄
#RO5 Violations: ┄	HBA (Lipinski): ┄	HBD (Lipinski): ┄	#RO5 Violations (Lipinski): ┄
CX Acidic pKa: ┄	CX Basic pKa: ┄	CX LogP: ┄	CX LogD: ┄
Aromatic Rings: ┄	Heavy Atoms: ┄	QED Weighted: ┄	Np Likeness Score: ┄

Priverogenin B 22-acetate 3-O-{beta-D-xylopyranosyl(1->2)-beta-D-glucopyranosyl(1->4)[beta-D-glucopyranosyl(1->2)]-alpha-L-Arabinopyranoside}

Names and Identifiers

Alternative Forms

Associated Targets(Human)

Molecule Features

Drug Indications

Mechanisms of Action

Calculated Properties

References

Source